2-(2,4,6-trimethyl-3-oxidanylidene-1,2-dihydroinden-5-yl)ethyl benzoate

Systemtic Name: 2-(2,4,6-trimethyl-3-oxidanylidene-1,2-dihydroinden-5-yl)ethyl benzoate Openeye Name: 2-(2,4,6-trimethyl-3-oxo-indan-5-yl)ethyl benzoate CAS Name: benzoic acid 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl ester IUPAC Name: 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl benzoate Traditional Name: benzoic acid 2-(3-keto-2,4,6-trimethyl-indan-5-yl)ethyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C(=C2C1=O)C)CCOC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1CC2=CC(=C(C(=C2C1=O)C)CCOC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22O3/c1-13-11-17-12-14(2)20(22)19(17)15(3)18(13)9-10-24-21(23)16-7-5-4-6-8-16/h4-8,11,14H,9-10,12H2,1-3H3