4-[2-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]ethynyl]benzoic acid CAS Name: 4-[2-[1-(5,5-dimethyl-1-cyclohexa-1,3-dienyl)-2-naphthalenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]ethynyl]benzoic acid Formula: C27H22O2 MolecularWeight: 378.46238

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)C#CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)C#CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C27H22O2/c1-27(2)17-5-7-23(18-27)25-21(16-15-20-6-3-4-8-24(20)25)12-9-19-10-13-22(14-11-19)26(28)29/h3-8,10-11,13-17H,18H2,1-2H3,(H,28,29)