2-oxidanyl-3-[(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 perchlorate

Systemtic Name: 2-oxidanyl-3-[(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 perchlorate Openeye Name: 2-hydroxy-3-[(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 perchlorate CAS Name: 2-hydroxy-3-[[(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 perchlorate IUPAC Name: 2-hydroxy-3-[(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 perchlorate Traditional Name: 2-hydroxy-3-[(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 perchlorate Formula: C39H41ClN2O8 MolecularWeight: 701.20444

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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=CC(=C6O)C(=O)O)C)C.[O-]Cl(=O)(=O)=O

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=CC(=C6O)C(=O)O)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H40N2O4.ClHO4/c1-38(2)28-16-7-9-18-30(28)40(5)33(38)23-21-25-13-11-14-26(36(25)45-32-20-12-15-27(35(32)42)37(43)44)22-24-34-39(3,4)29-17-8-10-19-31(29)41(34)6;2-1(3,4)5/h7-10,12,15-24H,11,13-14H2,1-6H3,(H-,42,43,44);(H,2,3,4,5)