4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4,4,7-trimethyltetralin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(3,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(4,4,7-trimethyltetralin-6-yl)ethynyl]benzoic acid Formula: C22H22O2 MolecularWeight: 318.40888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCC2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCC2)(C)C

InChI

InChI=1S/C22H22O2/c1-15-13-19-5-4-12-22(2,3)20(19)14-18(15)11-8-16-6-9-17(10-7-16)21(23)24/h6-7,9-10,13-14H,4-5,12H2,1-3H3,(H,23,24)