2-(8-cyclohexylidene-5,5-dimethyl-6,7-dihydronaphthalen-2-yl)ethynyl benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O2/c1-27(2)17-15-23(21-9-5-3-6-10-21)24-19-20(13-14-25(24)27)16-18-29-26(28)22-11-7-4-8-12-22/h4,7-8,11-14,19H,3,5-6,9-10,15,17H2,1-2H3