6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethyl-indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-benzo[e]indol-3-ium-3-yl]hexanoic acid

Systemtic Name: 6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethyl-indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-benzo[e]indol-3-ium-3-yl]hexanoic acid Openeye Name: 6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-benzo[e]indol-3-ium-3-yl]hexanoic acid CAS Name: 6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethyl-2-indolylidene)penta-1,3-dienyl]-1,1-dimethyl-3-benzo[e]indol-3-iumyl]hexanoic acid IUPAC Name: 6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethylindol-2-ylidene)penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoic acid Traditional Name: 6-[2-[(1E,3E,5E)-5-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-benz[e]indol-3-ium-3-yl]hexanoic acid Formula: C37H43N2O2+ MolecularWeight: 547.74952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(C1=CC=CC=CC3=[N+](C4=C(C3(C)C)C5=CC=CC=C5C=C4)CCCCCC(=O)O)(C)C

Isomeric SMILES

CCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C3=[N+](C4=C(C3(C)C)C5=CC=CC=C5C=C4)CCCCCC(=O)O)(C)C

InChI

InChI=1S/C37H42N2O2/c1-6-38-30-20-15-14-19-29(30)36(2,3)32(38)21-9-7-10-22-33-37(4,5)35-28-18-13-12-17-27(28)24-25-31(35)39(33)26-16-8-11-23-34(40)41/h7,9-10,12-15,17-22,24-25H,6,8,11,16,23,26H2,1-5H3/p+1