sodium 4-[2-[(E)-2-[3-chloranyl-5-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]phenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonate

Systemtic Name: sodium 4-[2-[(E)-2-[3-chloranyl-5-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]phenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonate Openeye Name: sodium 4-[2-[(E)-2-[3-chloro-5-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]vinyl]phenyl]vinyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonate CAS Name: sodium 4-[2-[(E)-2-[3-chloro-5-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)-2-indol-1-iumyl]ethenyl]phenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]-1-butanesulfonate IUPAC Name: sodium 4-[2-[(E)-2-[3-chloro-5-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]phenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonate Traditional Name: sodium 4-[2-[(E)-2-[3-chloro-5-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]vinyl]phenyl]vinyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonate Formula: C38H44ClN2NaO6S2 MolecularWeight: 747.33853

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=CC=CC=C21)CCCCS(=O)(=O)[O-])C=CC3=CC(=CC(=C3)C=CC4=[N+](C5=CC=CC=C5C4(C)C)CCCCS(=O)(=O)[O-])Cl)C.[Na+]

Isomeric SMILES

CC1(C(N(C2=CC=CC=C21)CCCCS(=O)(=O)[O-])/C=C/C3=CC(=CC(=C3)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)CCCCS(=O)(=O)[O-])Cl)C.[Na+]

InChI

InChI=1S/C38H45ClN2O6S2.Na/c1-37(2)31-13-5-7-15-33(31)40(21-9-11-23-48(42,43)44)35(37)19-17-28-25-29(27-30(39)26-28)18-20-36-38(3,4)32-14-6-8-16-34(32)41(36)22-10-12-24-49(45,46)47;/h5-8,13-20,25-27,35H,9-12,21-24H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1/b19-17+,20-18+;