potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide

C258H267Cl6IKN19Na2O47S19-2 — CID 158200510

IUPACpotassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide
SMILESC.CCC(=C/c1oc2ccc3ccccc3c2[n+]1CC(C)S(=O)(=O)[O-])/C=C1/Oc2cc3ccccc3cc2N1CCCCS(=O)(=O)[O-].CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Oc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-].CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc(Cl)cc2N1CC(=O)NS(C)(=O)=O.CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)[O-].CCC(=C/c1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-].CCCCC[n+]1c(/C=C/C=C2\N(CC)c3cc(Cl)c(Cl)cc3N2CCCCS(=O)(=O)[O-])n(CC)c2cc(Cl)c(Cl)cc21.CCCCC[n+]1c(C=C2C=C(C=C3Sc4cc(C)ccc4N3CC)CC(C)(C)C2)sc2cc(C)ccc21.O=S(=O)([O-])CCCCN1C(=Cc2oc3ccc(-c4ccccc4)cc3[n+]2CCCCS(=O)(=O)[O-])Oc2ccc(-c3ccccc3)cc21.[I-].[K+].[Na+].[Na+]
InChIInChI=1S/C35H34N2O8S2.C34H34N2O8S2.C33H32N2O8S2.C33H32N2O6S4.C33H41N2S2.C30H36Cl4N4O3S.C30H31ClN2O7S3.C29H28ClN3O7S3.CH4.HI.K.2Na/c38-46(39,40)21-9-7-19-36-30-23-28(26-11-3-1-4-12-26)15-17-32(30)44-34(36)25-35-37(20-8-10-22-47(41,42)43)31-24-29(16-18-33(31)45-35)27-13-5-2-6-14-27;1-3-24(19-33-36(22-23(2)46(40,41)42)34-28-13-7-6-10-25(28)14-15-30(34)43-33)18-32-35(16-8-9-17-45(37,38)39)29-20-26-11-4-5-12-27(26)21-31(29)44-32;2*1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;1-7-9-10-15-35-28-14-12-24(4)17-30(28)37-32(35)20-26-18-25(21-33(5,6)22-26)19-31-34(8-2)27-13-11-23(3)16-29(27)36-31;1-4-7-8-14-37-27-19-23(33)21(31)17-25(27)35(5-2)29(37)12-11-13-30-36(6-3)26-18-22(32)24(34)20-28(26)38(30)15-9-10-16-42(39,40)41;1-2-21(19-29-32(14-5-6-16-42(34,35)36)25-20-23(31)11-13-27(25)41-29)18-28-33(15-7-17-43(37,38)39)30-24-9-4-3-8-22(24)10-12-26(30)40-28;1-3-19(16-28-33(18-26(34)31-42(2,35)36)23-17-21(30)10-12-25(23)41-28)15-27-32(13-6-14-43(37,38)39)29-22-8-5-4-7-20(22)9-11-24(29)40-27;;;;;/h1-6,11-18,23-25H,7-10,19-22H2,(H-,38,39,40,41,42,43);4-7,10-15,18-21,23H,3,8-9,16-17,22H2,1-2H3,(H-,37,38,39,40,41,42);2*3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);11-14,16-20H,7-10,15,21-22H2,1-6H3;11-13,17-20H,4-10,14-16H2,1-3H3;3-4,8-13,18-20H,2,5-7,14-17H2,1H3,(H-,34,35,36,37,38,39);4-5,7-12,15-17H,3,6,13-14,18H2,1-2H3,(H-,31,34,37,38,39);1H4;1H;;;/q;;;;+1;;;;;;3*+1/p-6
InChIKeyGARMUMOEEKHMTJ-UHFFFAOYSA-H
MW5420.03 g/mol
LogP41.12
Rot. Bonds88

About potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide

potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide (PubChem CID 158200510) has the molecular formula C258H267Cl6IKN19Na2O47S19-2 and a molecular weight of 5420.03 g/mol. Its IUPAC name is potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide.

Molecular Properties

Compound Namepotassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide
PubChem CID158200510
Molecular FormulaC258H267Cl6IKN19Na2O47S19-2
Molecular Weight5420.03 g/mol
Exact Mass5412.04
IUPAC Namepotassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide
SMILESC.CCC(=C/c1oc2ccc3ccccc3c2[n+]1CC(C)S(=O)(=O)[O-])/C=C1/Oc2cc3ccccc3cc2N1CCCCS(=O)(=O)[O-].CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Oc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-].CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc(Cl)cc2N1CC(=O)NS(C)(=O)=O.CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)[O-].CCC(=C/c1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-].CCCCC[n+]1c(/C=C/C=C2\N(CC)c3cc(Cl)c(Cl)cc3N2CCCCS(=O)(=O)[O-])n(CC)c2cc(Cl)c(Cl)cc21.CCCCC[n+]1c(C=C2C=C(C=C3Sc4cc(C)ccc4N3CC)CC(C)(C)C2)sc2cc(C)ccc21.O=S(=O)([O-])CCCCN1C(=Cc2oc3ccc(-c4ccccc4)cc3[n+]2CCCCS(=O)(=O)[O-])Oc2ccc(-c3ccccc3)cc21.[I-].[K+].[Na+].[Na+]
InChIInChI=1S/C35H34N2O8S2.C34H34N2O8S2.C33H32N2O8S2.C33H32N2O6S4.C33H41N2S2.C30H36Cl4N4O3S.C30H31ClN2O7S3.C29H28ClN3O7S3.CH4.HI.K.2Na/c38-46(39,40)21-9-7-19-36-30-23-28(26-11-3-1-4-12-26)15-17-32(30)44-34(36)25-35-37(20-8-10-22-47(41,42)43)31-24-29(16-18-33(31)45-35)27-13-5-2-6-14-27;1-3-24(19-33-36(22-23(2)46(40,41)42)34-28-13-7-6-10-25(28)14-15-30(34)43-33)18-32-35(16-8-9-17-45(37,38)39)29-20-26-11-4-5-12-27(26)21-31(29)44-32;2*1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;1-7-9-10-15-35-28-14-12-24(4)17-30(28)37-32(35)20-26-18-25(21-33(5,6)22-26)19-31-34(8-2)27-13-11-23(3)16-29(27)36-31;1-4-7-8-14-37-27-19-23(33)21(31)17-25(27)35(5-2)29(37)12-11-13-30-36(6-3)26-18-22(32)24(34)20-28(26)38(30)15-9-10-16-42(39,40)41;1-2-21(19-29-32(14-5-6-16-42(34,35)36)25-20-23(31)11-13-27(25)41-29)18-28-33(15-7-17-43(37,38)39)30-24-9-4-3-8-22(24)10-12-26(30)40-28;1-3-19(16-28-33(18-26(34)31-42(2,35)36)23-17-21(30)10-12-25(23)41-28)15-27-32(13-6-14-43(37,38)39)29-22-8-5-4-7-20(22)9-11-24(29)40-27;;;;;/h1-6,11-18,23-25H,7-10,19-22H2,(H-,38,39,40,41,42,43);4-7,10-15,18-21,23H,3,8-9,16-17,22H2,1-2H3,(H-,37,38,39,40,41,42);2*3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);11-14,16-20H,7-10,15,21-22H2,1-6H3;11-13,17-20H,4-10,14-16H2,1-3H3;3-4,8-13,18-20H,2,5-7,14-17H2,1H3,(H-,34,35,36,37,38,39);4-5,7-12,15-17H,3,6,13-14,18H2,1-2H3,(H-,31,34,37,38,39);1H4;1H;;;/q;;;;+1;;;;;;3*+1/p-6
InChIKeyGARMUMOEEKHMTJ-UHFFFAOYSA-H
XLogP41.12
TPSA908.16 Ų
H-Bond Donors1
H-Bond Acceptors63
Rotatable Bonds88
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005420.03
LogP ≤ 541.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1063

Analyze potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide with MolForge

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What is the IUPAC name of potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide?
The IUPAC name of potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide (CID 158200510) is potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide.
What is the SMILES notation for potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide?
The canonical SMILES for potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide is C.CCC(=C/c1oc2ccc3ccccc3c2[n+]1CC(C)S(=O)(=O)[O-])/C=C1/Oc2cc3ccccc3cc2N1CCCCS(=O)(=O)[O-].CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Oc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-].CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc(Cl)cc2N1CC(=O)NS(C)(=O)=O.CCC(=C/c1oc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc(Cl)cc2N1CCCCS(=O)(=O)[O-].CCC(=C/c1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-].CCCCC[n+]1c(/C=C/C=C2\N(CC)c3cc(Cl)c(Cl)cc3N2CCCCS(=O)(=O)[O-])n(CC)c2cc(Cl)c(Cl)cc21.CCCCC[n+]1c(C=C2C=C(C=C3Sc4cc(C)ccc4N3CC)CC(C)(C)C2)sc2cc(C)ccc21.O=S(=O)([O-])CCCCN1C(=Cc2oc3ccc(-c4ccccc4)cc3[n+]2CCCCS(=O)(=O)[O-])Oc2ccc(-c3ccccc3)cc21.[I-].[K+].[Na+].[Na+].
What is the InChIKey of potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide?
The InChIKey is GARMUMOEEKHMTJ-UHFFFAOYSA-H. The full InChI is InChI=1S/C35H34N2O8S2.C34H34N2O8S2.C33H32N2O8S2.C33H32N2O6S4.C33H41N2S2.C30H36Cl4N4O3S.C30H31ClN2O7S3.C29H28ClN3O7S3.CH4.HI.K.2Na/c38-46(39,40)21-9-7-19-36-30-23-28(26-11-3-1-4-12-26)15-17-32(30)44-34(36)25-35-37(20-8-10-22-47(41,42)43)31-24-29(16-18-33(31)45-35)27-13-5-2-6-14-27;1-3-24(19-33-36(22-23(2)46(40,41)42)34-28-13-7-6-10-25(28)14-15-30(34)43-33)18-32-35(16-8-9-17-45(37,38)39)29-20-26-11-4-5-12-27(26)21-31(29)44-32;2*1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;1-7-9-10-15-35-28-14-12-24(4)17-30(28)37-32(35)20-26-18-25(21-33(5,6)22-26)19-31-34(8-2)27-13-11-23(3)16-29(27)36-31;1-4-7-8-14-37-27-19-23(33)21(31)17-25(27)35(5-2)29(37)12-11-13-30-36(6-3)26-18-22(32)24(34)20-28(26)38(30)15-9-10-16-42(39,40)41;1-2-21(19-29-32(14-5-6-16-42(34,35)36)25-20-23(31)11-13-27(25)41-29)18-28-33(15-7-17-43(37,38)39)30-24-9-4-3-8-22(24)10-12-26(30)40-28;1-3-19(16-28-33(18-26(34)31-42(2,35)36)23-17-21(30)10-12-25(23)41-28)15-27-32(13-6-14-43(37,38)39)29-22-8-5-4-7-20(22)9-11-24(29)40-27;;;;;/h1-6,11-18,23-25H,7-10,19-22H2,(H-,38,39,40,41,42,43);4-7,10-15,18-21,23H,3,8-9,16-17,22H2,1-2H3,(H-,37,38,39,40,41,42);2*3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);11-14,16-20H,7-10,15,21-22H2,1-6H3;11-13,17-20H,4-10,14-16H2,1-3H3;3-4,8-13,18-20H,2,5-7,14-17H2,1H3,(H-,34,35,36,37,38,39);4-5,7-12,15-17H,3,6,13-14,18H2,1-2H3,(H-,31,34,37,38,39);1H4;1H;;;/q;;;;+1;;;;;;3*+1/p-6.
What are the key properties of potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide?
potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide has a molecular weight of 5420.03 g/mol, XLogP of 41.12, 88 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;disodium;3-[2-[(Z)-2-[(E)-[5-chloro-3-[2-(methanesulfonamido)-2-oxoethyl]-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzoxazol-1-ium-1-yl]propane-1-sulfonate;4-[(2E)-5-chloro-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;4-[(2E)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-ethyl-3-pentylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;2-[[5,5-dimethyl-3-[(6-methyl-3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]cyclohexen-1-yl]methylidene]-3-ethyl-6-methyl-1,3-benzothiazole;methane;4-[5-phenyl-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate;3-[(2E)-2-[(2Z)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzoxazol-1-yl]propane-1-sulfonate;4-[(2E)-2-[(2Z)-2-[[1-(2-sulfonatopropyl)benzo[e][1,3]benzoxazol-1-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]butane-1-sulfonate;iodide is sourced from PubChem (CID 158200510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).