4-[[2-methanoyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]diazenyl]benzoic acid

Systemtic Name: 4-[[2-methanoyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]diazenyl]benzoic acid Openeye Name: 4-[[2-formyl-5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-1-yl]azo]benzoic acid CAS Name: 4-[[2-formyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]azo]benzoic acid IUPAC Name: 4-[[2-formyl-5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-1-yl]diazenyl]benzoic acid Traditional Name: 4-[[2-formyl-5,5-dimethyl-8-(p-tolyl)-6H-naphthalen-1-yl]azo]benzoic acid Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C(=C(C=C3)C=O)N=NC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C(=C(C=C3)C=O)N=NC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H24N2O3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)23-13-10-20(16-30)25(24(22)23)29-28-21-11-8-19(9-12-21)26(31)32/h4-14,16H,15H2,1-3H3,(H,31,32)