(2'E)-2'-[(2E)-2-[2-chloranyl-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid

Systemtic Name: (2'E)-2'-[(2E)-2-[2-chloranyl-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid Openeye Name: (2'E)-2'-[(2E)-2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid CAS Name: (2'E)-2'-[(2E)-2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)-2-indol-1-iumyl]ethenyl]-1-cyclohex-2-enylidene]ethylidene]-3',3'-dimethyl-2-spiro[azolidin-1-ium-1,1'-indol-1-ium]sulfonic acid IUPAC Name: (2'E)-2'-[(2E)-2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3',3'-dimethylspiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid Traditional Name: (2'E)-2'-[(2E)-2-[2-chloro-3-[2-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid Formula: C38H47ClN2O6S2+2 MolecularWeight: 727.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5[N+]46CCCC6S(=O)(=O)O)(C)C)CCC3)Cl)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(/C(=C/C=C/4\C(C5=CC=CC=C5[N+]46CCCC6S(=O)(=O)O)(C)C)/CCC3)Cl)CCCCS(=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/h5-8,15-18,20-23,35H,9-14,19,24-26H2,1-4H3/p+2/b22-20?,28-21+,34-23+