(2'E)-2'-[(2E,4Z,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]-4-methyl-hepta-2,4,6-trienylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid

Systemtic Name: (2'E)-2'-[(2E,4Z,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]-4-methyl-hepta-2,4,6-trienylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid Openeye Name: (2'E)-2'-[(2E,4Z,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]-4-methyl-hepta-2,4,6-trienylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid CAS Name: (2'E)-2'-[(2E,4Z,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-2-indol-1-iumyl]-4-methylhepta-2,4,6-trienylidene]-3',3'-dimethyl-2-spiro[azolidin-1-ium-1,1'-indol-1-ium]sulfonic acid IUPAC Name: (2'E)-2'-[(2E,4Z,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3',3'-dimethylspiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid Traditional Name: (2'E)-2'-[(2E,4Z,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]-4-methyl-hepta-2,4,6-trienylidene]-3',3'-dimethyl-spiro[azolidin-1-ium-1,1'-indol-1-ium]-2-sulfonic acid Formula: C36H46N2O6S2+2 MolecularWeight: 666.89024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)O)C=CC=C3C(C4=CC=CC=C4[N+]35CCCC5S(=O)(=O)O)(C)C

Isomeric SMILES

C/C(=C/C=C/C1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)O)/C=C/C=C/3\C(C4=CC=CC=C4[N+]35CCCC5S(=O)(=O)O)(C)C

InChI

InChI=1S/C36H44N2O6S2/c1-27(15-12-21-32-35(2,3)28-17-6-8-19-30(28)37(32)24-10-11-26-45(39,40)41)16-13-22-33-36(4,5)29-18-7-9-20-31(29)38(33)25-14-23-34(38)46(42,43)44/h6-9,12-13,15-22,34H,10-11,14,23-26H2,1-5H3/p+2/b16-13+,21-12+,27-15-,33-22+