hexyl 2-(5-methyl-6-oxidanylidene-5,7,8,9-tetrahydrobenzo[7]annulen-8-yl)ethanoate

Systemtic Name: hexyl 2-(5-methyl-6-oxidanylidene-5,7,8,9-tetrahydrobenzo[7]annulen-8-yl)ethanoate Openeye Name: hexyl 2-(5-methyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-8-yl)acetate CAS Name: 2-(5-methyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-8-yl)acetic acid hexyl ester IUPAC Name: hexyl 2-(5-methyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-8-yl)acetate Traditional Name: 2-(6-keto-5-methyl-5,7,8,9-tetrahydrobenzocyclohepten-8-yl)acetic acid hexyl ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC1CC2=CC=CC=C2C(C(=O)C1)C

Isomeric SMILES

CCCCCCOC(=O)CC1CC2=CC=CC=C2C(C(=O)C1)C

InChI

InChI=1S/C20H28O3/c1-3-4-5-8-11-23-20(22)14-16-12-17-9-6-7-10-18(17)15(2)19(21)13-16/h6-7,9-10,15-16H,3-5,8,11-14H2,1-2H3