dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium

C260H271Cl7K2N17O39S29- — CID 158486937

IUPACdipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium
SMILESCC(/C=C/c1sc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)[O-])=C\C=C1\Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)[O-].CC(C=CC1Sc2ccc(Cl)cc2[NH+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(Cl)[c-]c2N1CCCS(=O)(=O)[O-].CC(C=Cc1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-].CC[NH+](CC)CC.CC[n+]1c(C=C2C=C(CC3Sc4ccc(Cl)cc4N3CCCS(=O)(=O)O)CC(C)(C)C2)sc2ccc(C)cc21.C[n+]1c(C=C2C=C(C=C3Sc4ccc(Cl)cc4N3CCCS(=O)(=O)[O-])CC(C)(C)C2)sc2ccc(Cl)cc21.Cc1cc2c(cc1C)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3cc(C)c(C)cc3[n+]1C)Cc1ccccc1)S2.Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)[O-])c1ccccc1)S2.O=S(=O)([O-])CCC[n+]1c(C=C(C=C2Sc3ccc4ccccc4c3N2CCCS(=O)(=O)O)c2ccccc2)sc2ccc3ccccc3c21.[K+].[K+]
InChIInChI=1S/C38H36N2O6S4.C37H32N2O6S4.C34H36N2O3S3.C33H34N2O6S4.C30H35ClN2O3S3.C28H30Cl2N2O6S4.C28H28Cl2N2O3S3.C26H27Cl2N2O6S4.C6H15N.2K/c1-28(14-20-37-39(22-8-24-49(41,42)43)33-26-31(16-18-35(33)47-37)29-10-4-2-5-11-29)15-21-38-40(23-9-25-50(44,45)46)34-27-32(17-19-36(34)48-38)30-12-6-3-7-13-30;40-48(41,42)22-8-20-38-34(46-32-18-16-27-12-4-6-14-30(27)36(32)38)24-29(26-10-2-1-3-11-26)25-35-39(21-9-23-49(43,44)45)37-31-15-7-5-13-28(31)17-19-33(37)47-35;1-23-18-29-31(20-25(23)3)40-33(35(29)5)14-12-28(22-27-10-7-6-8-11-27)13-15-34-36(16-9-17-42(37,38)39)30-19-24(2)26(4)21-32(30)41-34;1-24-10-14-30-28(22-24)34(18-6-20-44(36,37)38)32(42-30)16-12-27(26-8-4-3-5-9-26)13-17-33-35(19-7-21-45(39,40)41)29-23-25(2)11-15-31(29)43-33;1-5-32-24-13-20(2)7-9-26(24)37-28(32)15-21-14-22(19-30(3,4)18-21)16-29-33(11-6-12-39(34,35)36)25-17-23(31)8-10-27(25)38-29;1-20(6-12-27-31(14-2-4-16-41(33,34)35)23-18-21(29)8-10-25(23)39-27)7-13-28-32(15-3-5-17-42(36,37)38)24-19-22(30)9-11-26(24)40-28;1-28(2)16-18(12-26-31(3)22-14-20(29)5-7-24(22)36-26)11-19(17-28)13-27-32(9-4-10-38(33,34)35)23-15-21(30)6-8-25(23)37-27;1-18(4-10-25-29(12-2-14-39(31,32)33)21-16-19(27)6-8-23(21)37-25)5-11-26-30(13-3-15-40(34,35)36)22-17-20(28)7-9-24(22)38-26;1-4-7(5-2)6-3;;/h2-7,10-21,26-27H,8-9,22-25H2,1H3,(H-,41,42,43,44,45,46);1-7,10-19,24-25H,8-9,20-23H2,(H-,40,41,42,43,44,45);6-8,10-15,18-21H,9,16-17,22H2,1-5H3;3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H-,36,37,38,39,40,41);7-10,13-15,17,29H,5-6,11-12,16,18-19H2,1-4H3;6-13,18-19H,2-5,14-17H2,1H3,(H-,33,34,35,36,37,38);5-8,11-15H,4,9-10,16-17H2,1-3H3;4-11,16,25H,2-3,12-15H2,1H3,(H,31,32,33)(H,34,35,36);4-6H2,1-3H3;;/q;;;;;;;-1;;2*+1/p-2
InChIKeyRRKXZCCPLJYQSL-UHFFFAOYSA-L
MW5514.42 g/mol
LogP49.79
Rot. Bonds86

About dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium

dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium (PubChem CID 158486937) has the molecular formula C260H271Cl7K2N17O39S29- and a molecular weight of 5514.42 g/mol. Its IUPAC name is dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium.

Molecular Properties

Compound Namedipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium
PubChem CID158486937
Molecular FormulaC260H271Cl7K2N17O39S29-
Molecular Weight5514.42 g/mol
Exact Mass5504.87
IUPAC Namedipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium
SMILESCC(/C=C/c1sc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)[O-])=C\C=C1\Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)[O-].CC(C=CC1Sc2ccc(Cl)cc2[NH+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(Cl)[c-]c2N1CCCS(=O)(=O)[O-].CC(C=Cc1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-].CC[NH+](CC)CC.CC[n+]1c(C=C2C=C(CC3Sc4ccc(Cl)cc4N3CCCS(=O)(=O)O)CC(C)(C)C2)sc2ccc(C)cc21.C[n+]1c(C=C2C=C(C=C3Sc4ccc(Cl)cc4N3CCCS(=O)(=O)[O-])CC(C)(C)C2)sc2ccc(Cl)cc21.Cc1cc2c(cc1C)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3cc(C)c(C)cc3[n+]1C)Cc1ccccc1)S2.Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)[O-])c1ccccc1)S2.O=S(=O)([O-])CCC[n+]1c(C=C(C=C2Sc3ccc4ccccc4c3N2CCCS(=O)(=O)O)c2ccccc2)sc2ccc3ccccc3c21.[K+].[K+]
InChIInChI=1S/C38H36N2O6S4.C37H32N2O6S4.C34H36N2O3S3.C33H34N2O6S4.C30H35ClN2O3S3.C28H30Cl2N2O6S4.C28H28Cl2N2O3S3.C26H27Cl2N2O6S4.C6H15N.2K/c1-28(14-20-37-39(22-8-24-49(41,42)43)33-26-31(16-18-35(33)47-37)29-10-4-2-5-11-29)15-21-38-40(23-9-25-50(44,45)46)34-27-32(17-19-36(34)48-38)30-12-6-3-7-13-30;40-48(41,42)22-8-20-38-34(46-32-18-16-27-12-4-6-14-30(27)36(32)38)24-29(26-10-2-1-3-11-26)25-35-39(21-9-23-49(43,44)45)37-31-15-7-5-13-28(31)17-19-33(37)47-35;1-23-18-29-31(20-25(23)3)40-33(35(29)5)14-12-28(22-27-10-7-6-8-11-27)13-15-34-36(16-9-17-42(37,38)39)30-19-24(2)26(4)21-32(30)41-34;1-24-10-14-30-28(22-24)34(18-6-20-44(36,37)38)32(42-30)16-12-27(26-8-4-3-5-9-26)13-17-33-35(19-7-21-45(39,40)41)29-23-25(2)11-15-31(29)43-33;1-5-32-24-13-20(2)7-9-26(24)37-28(32)15-21-14-22(19-30(3,4)18-21)16-29-33(11-6-12-39(34,35)36)25-17-23(31)8-10-27(25)38-29;1-20(6-12-27-31(14-2-4-16-41(33,34)35)23-18-21(29)8-10-25(23)39-27)7-13-28-32(15-3-5-17-42(36,37)38)24-19-22(30)9-11-26(24)40-28;1-28(2)16-18(12-26-31(3)22-14-20(29)5-7-24(22)36-26)11-19(17-28)13-27-32(9-4-10-38(33,34)35)23-15-21(30)6-8-25(23)37-27;1-18(4-10-25-29(12-2-14-39(31,32)33)21-16-19(27)6-8-23(21)37-25)5-11-26-30(13-3-15-40(34,35)36)22-17-20(28)7-9-24(22)38-26;1-4-7(5-2)6-3;;/h2-7,10-21,26-27H,8-9,22-25H2,1H3,(H-,41,42,43,44,45,46);1-7,10-19,24-25H,8-9,20-23H2,(H-,40,41,42,43,44,45);6-8,10-15,18-21H,9,16-17,22H2,1-5H3;3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H-,36,37,38,39,40,41);7-10,13-15,17,29H,5-6,11-12,16,18-19H2,1-4H3;6-13,18-19H,2-5,14-17H2,1H3,(H-,33,34,35,36,37,38);5-8,11-15H,4,9-10,16-17H2,1-3H3;4-11,16,25H,2-3,12-15H2,1H3,(H,31,32,33)(H,34,35,36);4-6H2,1-3H3;;/q;;;;;;;-1;;2*+1/p-2
InChIKeyRRKXZCCPLJYQSL-UHFFFAOYSA-L
XLogP49.79
TPSA799.90 Ų
H-Bond Donors4
H-Bond Acceptors61
Rotatable Bonds86
Heavy Atoms354
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005514.42
LogP ≤ 549.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1061

Analyze dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium?
The IUPAC name of dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium (CID 158486937) is dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium.
What is the SMILES notation for dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium?
The canonical SMILES for dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium is CC(/C=C/c1sc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)[O-])=C\C=C1\Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)[O-].CC(C=CC1Sc2ccc(Cl)cc2[NH+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(Cl)[c-]c2N1CCCS(=O)(=O)[O-].CC(C=Cc1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-].CC[NH+](CC)CC.CC[n+]1c(C=C2C=C(CC3Sc4ccc(Cl)cc4N3CCCS(=O)(=O)O)CC(C)(C)C2)sc2ccc(C)cc21.C[n+]1c(C=C2C=C(C=C3Sc4ccc(Cl)cc4N3CCCS(=O)(=O)[O-])CC(C)(C)C2)sc2ccc(Cl)cc21.Cc1cc2c(cc1C)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3cc(C)c(C)cc3[n+]1C)Cc1ccccc1)S2.Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)[O-])c1ccccc1)S2.O=S(=O)([O-])CCC[n+]1c(C=C(C=C2Sc3ccc4ccccc4c3N2CCCS(=O)(=O)O)c2ccccc2)sc2ccc3ccccc3c21.[K+].[K+].
What is the InChIKey of dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium?
The InChIKey is RRKXZCCPLJYQSL-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H36N2O6S4.C37H32N2O6S4.C34H36N2O3S3.C33H34N2O6S4.C30H35ClN2O3S3.C28H30Cl2N2O6S4.C28H28Cl2N2O3S3.C26H27Cl2N2O6S4.C6H15N.2K/c1-28(14-20-37-39(22-8-24-49(41,42)43)33-26-31(16-18-35(33)47-37)29-10-4-2-5-11-29)15-21-38-40(23-9-25-50(44,45)46)34-27-32(17-19-36(34)48-38)30-12-6-3-7-13-30;40-48(41,42)22-8-20-38-34(46-32-18-16-27-12-4-6-14-30(27)36(32)38)24-29(26-10-2-1-3-11-26)25-35-39(21-9-23-49(43,44)45)37-31-15-7-5-13-28(31)17-19-33(37)47-35;1-23-18-29-31(20-25(23)3)40-33(35(29)5)14-12-28(22-27-10-7-6-8-11-27)13-15-34-36(16-9-17-42(37,38)39)30-19-24(2)26(4)21-32(30)41-34;1-24-10-14-30-28(22-24)34(18-6-20-44(36,37)38)32(42-30)16-12-27(26-8-4-3-5-9-26)13-17-33-35(19-7-21-45(39,40)41)29-23-25(2)11-15-31(29)43-33;1-5-32-24-13-20(2)7-9-26(24)37-28(32)15-21-14-22(19-30(3,4)18-21)16-29-33(11-6-12-39(34,35)36)25-17-23(31)8-10-27(25)38-29;1-20(6-12-27-31(14-2-4-16-41(33,34)35)23-18-21(29)8-10-25(23)39-27)7-13-28-32(15-3-5-17-42(36,37)38)24-19-22(30)9-11-26(24)40-28;1-28(2)16-18(12-26-31(3)22-14-20(29)5-7-24(22)36-26)11-19(17-28)13-27-32(9-4-10-38(33,34)35)23-15-21(30)6-8-25(23)37-27;1-18(4-10-25-29(12-2-14-39(31,32)33)21-16-19(27)6-8-23(21)37-25)5-11-26-30(13-3-15-40(34,35)36)22-17-20(28)7-9-24(22)38-26;1-4-7(5-2)6-3;;/h2-7,10-21,26-27H,8-9,22-25H2,1H3,(H-,41,42,43,44,45,46);1-7,10-19,24-25H,8-9,20-23H2,(H-,40,41,42,43,44,45);6-8,10-15,18-21H,9,16-17,22H2,1-5H3;3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H-,36,37,38,39,40,41);7-10,13-15,17,29H,5-6,11-12,16,18-19H2,1-4H3;6-13,18-19H,2-5,14-17H2,1H3,(H-,33,34,35,36,37,38);5-8,11-15H,4,9-10,16-17H2,1-3H3;4-11,16,25H,2-3,12-15H2,1H3,(H,31,32,33)(H,34,35,36);4-6H2,1-3H3;;/q;;;;;;;-1;;2*+1/p-2.
What are the key properties of dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium?
dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium has a molecular weight of 5514.42 g/mol, XLogP of 49.79, 86 rotatable bonds, 4 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[2-[3-benzyl-5-(3,5,6-trimethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(5-chloro-3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2E,4E)-5-[5-chloro-3-(4-sulfonatobutyl)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;3-[5-chloro-2-[5-[5-chloro-3-(3-sulfonatopropyl)-4H-1,3-benzothiazol-4-id-2-ylidene]-3-methylpenta-1,3-dienyl]-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5,5-dimethylcyclohexen-1-yl]methyl]-2H-1,3-benzothiazol-3-yl]propane-1-sulfonic acid;3-[5-methyl-2-[5-[5-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-3-phenylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[3-methyl-5-[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-5-phenyl-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[2-[2-phenyl-3-[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]prop-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate;triethylazanium is sourced from PubChem (CID 158486937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).