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

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


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