4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-oxidanylidene-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-oxidanylidene-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]-3-oxo-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-oxoprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-oxoprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]-3-keto-prop-1-ynyl]benzoic acid Formula: C29H24O3 MolecularWeight: 420.49906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)C(=O)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)C(=O)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C29H24O3/c1-19-4-9-21(10-5-19)24-16-17-29(2,3)26-18-23(13-14-25(24)26)27(30)15-8-20-6-11-22(12-7-20)28(31)32/h4-7,9-14,16,18H,17H2,1-3H3,(H,31,32)