dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium

C264H285Cl7K2N18O36S28 — CID 158788151

IUPACdipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-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(=CCC1Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-])CCc1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)[O-].CC(C=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-].CCN(CC)CC.CCN1C(=CC2=CC(=Cc3sc4ccc(Cl)cc4[n+]3CCCS(=O)(=O)[O-])CC(C)(C)C2)Sc2ccc(C)cc21.CC[NH+](CC)CC.CN1C(=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)c2ccccc2)Sc2ccc3ccccc3c21.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+]1CCCS(=O)(=O)[O-])Cc1ccccc1)S2.Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)[O-])c1ccccc1)S2.[K+].[K+]
InChIInChI=1S/C38H40N2O6S4.C36H42N2O6S4.C33H34N2O6S4.C33H25N2S2.C30H33ClN2O3S3.C28H30Cl2N2O6S4.C28H28Cl2N2O3S3.C26H26Cl2N2O6S4.2C6H15N.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;1-25-20-31-33(22-27(25)3)45-35(37(31)16-8-18-47(39,40)41)14-12-30(24-29-10-6-5-7-11-29)13-15-36-38(17-9-19-48(42,43)44)32-21-26(2)28(4)23-34(32)46-36;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;1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;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;2*1-4-7(5-2)6-3;;/h2-7,10-14,16-19,26-27,37H,8-9,15,20-25H2,1H3,(H-,41,42,43,44,45,46);5-7,10-14,20-23,36H,8-9,15-19,24H2,1-4H3,(H-,39,40,41,42,43,44);3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H-,36,37,38,39,40,41);3-21H,1-2H3;7-10,13-17H,5-6,11-12,18-19H2,1-4H3;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;4-11,16-17H,2-3,12-15H2,1H3,(H-,31,32,33,34,35,36);2*4-6H2,1-3H3;;/q;;;+1;;;;;;;2*+1/p-3
InChIKeyIRYCFWSKSXZNHW-UHFFFAOYSA-K
MW5510.52 g/mol
LogP52.50
Rot. Bonds87

About dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium

dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium (PubChem CID 158788151) has the molecular formula C264H285Cl7K2N18O36S28 and a molecular weight of 5510.52 g/mol. Its IUPAC name is dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium.

Molecular Properties

Compound Namedipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium
PubChem CID158788151
Molecular FormulaC264H285Cl7K2N18O36S28
Molecular Weight5510.52 g/mol
Exact Mass5501.03
IUPAC Namedipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-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(=CCC1Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-])CCc1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)[O-].CC(C=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-].CCN(CC)CC.CCN1C(=CC2=CC(=Cc3sc4ccc(Cl)cc4[n+]3CCCS(=O)(=O)[O-])CC(C)(C)C2)Sc2ccc(C)cc21.CC[NH+](CC)CC.CN1C(=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)c2ccccc2)Sc2ccc3ccccc3c21.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+]1CCCS(=O)(=O)[O-])Cc1ccccc1)S2.Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)[O-])c1ccccc1)S2.[K+].[K+]
InChIInChI=1S/C38H40N2O6S4.C36H42N2O6S4.C33H34N2O6S4.C33H25N2S2.C30H33ClN2O3S3.C28H30Cl2N2O6S4.C28H28Cl2N2O3S3.C26H26Cl2N2O6S4.2C6H15N.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;1-25-20-31-33(22-27(25)3)45-35(37(31)16-8-18-47(39,40)41)14-12-30(24-29-10-6-5-7-11-29)13-15-36-38(17-9-19-48(42,43)44)32-21-26(2)28(4)23-34(32)46-36;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;1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;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;2*1-4-7(5-2)6-3;;/h2-7,10-14,16-19,26-27,37H,8-9,15,20-25H2,1H3,(H-,41,42,43,44,45,46);5-7,10-14,20-23,36H,8-9,15-19,24H2,1-4H3,(H-,39,40,41,42,43,44);3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H-,36,37,38,39,40,41);3-21H,1-2H3;7-10,13-17H,5-6,11-12,18-19H2,1-4H3;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;4-11,16-17H,2-3,12-15H2,1H3,(H-,31,32,33,34,35,36);2*4-6H2,1-3H3;;/q;;;+1;;;;;;;2*+1/p-3
InChIKeyIRYCFWSKSXZNHW-UHFFFAOYSA-K
XLogP52.50
TPSA748.21 Ų
H-Bond Donors2
H-Bond Acceptors60
Rotatable Bonds87
Heavy Atoms355
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005510.52
LogP ≤ 552.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1060

Analyze dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-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-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium?
The IUPAC name of dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium (CID 158788151) is dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium.
What is the SMILES notation for dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium?
The canonical SMILES for dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-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(=CCC1Sc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-])CCc1sc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)[O-].CC(C=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-])=CC=C1Sc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-].CCN(CC)CC.CCN1C(=CC2=CC(=Cc3sc4ccc(Cl)cc4[n+]3CCCS(=O)(=O)[O-])CC(C)(C)C2)Sc2ccc(C)cc21.CC[NH+](CC)CC.CN1C(=CC(=Cc2sc3ccc4ccccc4c3[n+]2C)c2ccccc2)Sc2ccc3ccccc3c21.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+]1CCCS(=O)(=O)[O-])Cc1ccccc1)S2.Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC=C(C=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)[O-])c1ccccc1)S2.[K+].[K+].
What is the InChIKey of dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium?
The InChIKey is IRYCFWSKSXZNHW-UHFFFAOYSA-K. The full InChI is InChI=1S/C38H40N2O6S4.C36H42N2O6S4.C33H34N2O6S4.C33H25N2S2.C30H33ClN2O3S3.C28H30Cl2N2O6S4.C28H28Cl2N2O3S3.C26H26Cl2N2O6S4.2C6H15N.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;1-25-20-31-33(22-27(25)3)45-35(37(31)16-8-18-47(39,40)41)14-12-30(24-29-10-6-5-7-11-29)13-15-36-38(17-9-19-48(42,43)44)32-21-26(2)28(4)23-34(32)46-36;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;1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31;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;2*1-4-7(5-2)6-3;;/h2-7,10-14,16-19,26-27,37H,8-9,15,20-25H2,1H3,(H-,41,42,43,44,45,46);5-7,10-14,20-23,36H,8-9,15-19,24H2,1-4H3,(H-,39,40,41,42,43,44);3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H-,36,37,38,39,40,41);3-21H,1-2H3;7-10,13-17H,5-6,11-12,18-19H2,1-4H3;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;4-11,16-17H,2-3,12-15H2,1H3,(H-,31,32,33,34,35,36);2*4-6H2,1-3H3;;/q;;;+1;;;;;;;2*+1/p-3.
What are the key properties of dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium?
dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium has a molecular weight of 5510.52 g/mol, XLogP of 52.50, 87 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[2-[3-benzyl-5-[5,6-dimethyl-3-(3-sulfopropyl)-2H-1,3-benzothiazol-2-yl]penta-1,3-dienyl]-5,6-dimethyl-1,3-benzothiazol-3-ium-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)-1,3-benzothiazol-3-ium-2-yl]-3-methylpenta-2,4-dienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;3-[5-chloro-2-[[3-[(3-ethyl-5-methyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate;N,N-diethylethanamine;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole;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]pent-2-enyl]-5-phenyl-2H-1,3-benzothiazol-3-yl]propane-1-sulfonate;triethylazanium is sourced from PubChem (CID 158788151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).