3-[(2Z)-3,3,5-trimethyl-2-[(E)-3-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]indol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-3,3,5-trimethyl-2-[(E)-3-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]indol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-3,3,5-trimethyl-2-[(E)-3-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]indolin-1-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-3,3,5-trimethyl-2-[(E)-3-[3,3,5-trimethyl-1-(3-sulfopropyl)-2-indol-1-iumyl]prop-2-enylidene]-1-indolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-3,3,5-trimethyl-2-[(E)-3-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]indol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-3,3,5-trimethyl-2-[(E)-3-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]indolin-1-yl]propane-1-sulfonic acid Formula: C31H41N2O6S2+ MolecularWeight: 601.79704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)C)CCCS(=O)(=O)O)C2(C)C)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)C)CCCS(=O)(=O)O)/C2(C)C)CCCS(=O)(=O)O

InChI

InChI=1S/C31H40N2O6S2/c1-22-12-14-26-24(20-22)30(3,4)28(32(26)16-8-18-40(34,35)36)10-7-11-29-31(5,6)25-21-23(2)13-15-27(25)33(29)17-9-19-41(37,38)39/h7,10-15,20-21H,8-9,16-19H2,1-6H3,(H-,34,35,36,37,38,39)/p+1