4-[2-[2-[(3E)-2-chloranyl-3-[(2E)-2-(3',3'-dimethyl-2-sulfo-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[2-[(3E)-2-chloranyl-3-[(2E)-2-(3',3'-dimethyl-2-sulfo-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[2-[2-[(3E)-2-chloro-3-[(2E)-2-(3',3'-dimethyl-2-sulfo-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[2-[2-[(3E)-2-chloro-3-[(2E)-2-(3',3'-dimethyl-2-sulfo-2'-spiro[azolidin-1-ium-1,1'-indol-1-ium]ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-3,3-dimethyl-1-indol-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[2-[2-[(3E)-2-chloro-3-[(2E)-2-(3',3'-dimethyl-2-sulfospiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[2-[2-[(3E)-2-chloro-3-[(2E)-2-(3',3'-dimethyl-2-sulfo-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2'-ylidene)ethylidene]cyclohexen-1-yl]vinyl]-3,3-dimethyl-indol-1-ium-1-yl]butane-1-sulfonate Formula: C38H45ClN2O6S2 MolecularWeight: 725.3567

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+]3(C1=CC=C4CCCC(=C4Cl)C=[C-]C5=[N+](C6=CC=CC=C6C5(C)C)CCCCS(=O)(=O)[O-])CCCC3S(=O)(=O)O)C

Isomeric SMILES

CC\1(C2=CC=CC=C2[N+]3(/C1=C/C=C/4\CCCC(=C4Cl)C=[C-]C5=[N+](C6=CC=CC=C6C5(C)C)CCCCS(=O)(=O)[O-])CCCC3S(=O)(=O)O)C

InChI

InChI=1S/C38H45ClN2O6S2/c1-37(2)29-15-5-7-17-31(29)40(24-9-10-26-48(42,43)44)33(37)22-20-27-13-11-14-28(36(27)39)21-23-34-38(3,4)30-16-6-8-18-32(30)41(34)25-12-19-35(41)49(45,46)47/h5-8,15-18,20-21,23,35H,9-14,19,24-26H2,1-4H3,(H-,42,43,44,45,46,47)/b28-21+,34-23+