(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)indole-5-sulfonic acid

Systemtic Name: (2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)indole-5-sulfonic acid Openeye Name: (2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)indoline-5-sulfonic acid CAS Name: (2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylthio)-2-indol-1-iumyl]-4-ethylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)-5-indolesulfonic acid IUPAC Name: (2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)indole-5-sulfonic acid Traditional Name: (2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylthio)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)indoline-5-sulfonic acid Formula: C37H49N2O12S4+ MolecularWeight: 842.05116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC=CC1=[N+](C2=C(C1(C)C)C=C(C=C2)SOOO)CCCCS(=O)(=O)O)C=CC=C3C(C4=C(N3CCCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C

Isomeric SMILES

CC/C(=C\C=C\C1=[N+](C2=C(C1(C)C)C=C(C=C2)SOOO)CCCCS(=O)(=O)O)/C=C/C=C\3/C(C4=C(N3CCCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C

InChI

InChI=1S/C37H48N2O12S4/c1-6-27(13-11-15-34-36(2,3)30-25-28(52-51-50-40)17-19-32(30)38(34)21-7-9-23-53(41,42)43)14-12-16-35-37(4,5)31-26-29(55(47,48)49)18-20-33(31)39(35)22-8-10-24-54(44,45)46/h11-20,25-26H,6-10,21-24H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49)/p+1