4-[2-(8-cyclohexylidene-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(8-cyclohexylidene-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4-cyclohexylidene-1,1-dimethyl-tetralin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(8-cyclohexylidene-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(8-cyclohexylidene-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(4-cyclohexylidene-1,1-dimethyl-tetralin-6-yl)ethynyl]benzoic acid Formula: C27H28O2 MolecularWeight: 384.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=C2CCCCC2)C3=C1C=CC(=C3)C#CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CCC(=C2CCCCC2)C3=C1C=CC(=C3)C#CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C27H28O2/c1-27(2)17-16-23(21-6-4-3-5-7-21)24-18-20(12-15-25(24)27)9-8-19-10-13-22(14-11-19)26(28)29/h10-15,18H,3-7,16-17H2,1-2H3,(H,28,29)