4-[2-[(E,3Z)-3-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[(E,3Z)-3-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[2-[(E,3Z)-3-[3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene]prop-1-enyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[2-[(E,3Z)-3-[3,3-dimethyl-1-(4-sulfobutyl)-2-indolylidene]prop-1-enyl]-3,3-dimethyl-1-indol-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[2-[(E,3Z)-3-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[2-[(E,3Z)-3-[3,3-dimethyl-1-(4-sulfobutyl)indolin-2-ylidene]prop-1-enyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate Formula: C31H40N2O6S2 MolecularWeight: 600.7891

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCS(=O)(=O)O)(C)C)CCCCS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3CCCCS(=O)(=O)O)(C)C)CCCCS(=O)(=O)[O-])C

InChI

InChI=1S/C31H40N2O6S2/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39)