2-oxidanyl-5-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxy-benzoic acid

Systemtic Name: 2-oxidanyl-5-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxy-benzoic acid Openeye Name: 2-hydroxy-5-[(6E)-6-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]cyclohexen-1-yl]oxy-benzoic acid CAS Name: 2-hydroxy-5-[[(6E)-2-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]-6-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-1-cyclohexenyl]oxy]benzoic acid IUPAC Name: 2-hydroxy-5-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]oxybenzoic acid Traditional Name: 2-hydroxy-5-[(6E)-6-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]cyclohexen-1-yl]oxy-benzoic acid Formula: C39H41N2O4+ MolecularWeight: 601.75384

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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=C5N4C)(C)C)CCC3)OC6=CC(=C(C=C6)O)C(=O)O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4C)(C)C)/CCC3)OC6=CC(=C(C=C6)O)C(=O)O)C)C

InChI

InChI=1S/C39H40N2O4/c1-38(2)29-14-7-9-16-31(29)40(5)34(38)22-18-25-12-11-13-26(36(25)45-27-20-21-33(42)28(24-27)37(43)44)19-23-35-39(3,4)30-15-8-10-17-32(30)41(35)6/h7-10,14-24H,11-13H2,1-6H3,(H-,42,43,44)/p+1