4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)benzo[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-benzo[g]indol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)benzo[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-benzo[g]indol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)benzo[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-benzo[g]indol-1-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)-2-benzo[g]indol-1-iumyl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-benzo[g]indolyl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)benzo[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylbenzo[g]indol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfobutyl)benz[g]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-benz[g]indol-1-yl]butane-1-sulfonic acid Formula: C43H49N2O6S2+ MolecularWeight: 753.98896

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C3=CC=CC=C3C=C2)[N+](=C1C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)O)C6=CC=CC=C6C=C5)(C)C)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=C(C3=CC=CC=C3C=C2)[N+](=C1/C=C/C=C/C=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)O)C6=CC=CC=C6C=C5)(C)C)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C43H48N2O6S2/c1-42(2)36-26-24-32-18-10-12-20-34(32)40(36)44(28-14-16-30-52(46,47)48)38(42)22-8-6-5-7-9-23-39-43(3,4)37-27-25-33-19-11-13-21-35(33)41(37)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51)/p+1