6-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benzo[e]indol-3-yl]hexanoic acid

Systemtic Name: 6-[(2E)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benzo[e]indol-3-yl]hexanoic acid Openeye Name: 6-[(2E)-2-[(2E,4E,6E)-7-[3-(6-hydroxy-6-oxo-hexyl)-1,1-dimethyl-benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benzo[e]indol-3-yl]hexanoic acid CAS Name: 6-[(2E)-2-[(2E,4E,6E)-7-[3-(6-hydroxy-6-oxohexyl)-1,1-dimethyl-2-benzo[e]indol-3-iumyl]hepta-2,4,6-trienylidene]-1,1-dimethyl-3-benzo[e]indolyl]hexanoic acid IUPAC Name: 6-[(2E)-2-[(2E,4E,6E)-7-[3-(6-hydroxy-6-oxohexyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]hexanoic acid Traditional Name: 6-[(2E)-2-[(2E,4E,6E)-7-[3-(6-hydroxy-6-keto-hexyl)-1,1-dimethyl-benz[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethyl-benz[e]indol-3-yl]hexanoic acid Formula: C47H53N2O4+ MolecularWeight: 709.93472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCCC(=O)O)C=CC=CC=CC=C4C(C5=C(N4CCCCCC(=O)O)C=CC6=CC=CC=C65)(C)C)C

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCCC(=O)O)/C=C/C=C/C=C/C=C/4\C(C5=C(N4CCCCCC(=O)O)C=CC6=CC=CC=C65)(C)C)C

InChI

InChI=1S/C47H52N2O4/c1-46(2)40(48(32-18-8-12-26-42(50)51)38-30-28-34-20-14-16-22-36(34)44(38)46)24-10-6-5-7-11-25-41-47(3,4)45-37-23-17-15-21-35(37)29-31-39(45)49(41)33-19-9-13-27-43(52)53/h5-7,10-11,14-17,20-25,28-31H,8-9,12-13,18-19,26-27,32-33H2,1-4H3,(H-,50,51,52,53)/p+1