(1-ethyl-2,6-dimethyl-7-oxidanylidene-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl ethanoate

Systemtic Name: (1-ethyl-2,6-dimethyl-7-oxidanylidene-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl ethanoate Openeye Name: (1-ethyl-2,6-dimethyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl acetate CAS Name: acetic acid (1-ethyl-2,6-dimethyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl ester IUPAC Name: (1-ethyl-2,6-dimethyl-7-oxo-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl acetate Traditional Name: acetic acid (1-ethyl-7-keto-2,6-dimethyl-1,5,6,9,10,10a-hexahydrophenanthren-2-yl)methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CCC3=CC(=O)C(CC3=C2C=CC1(C)COC(=O)C)C

Isomeric SMILES

CCC1C2CCC3=CC(=O)C(CC3=C2C=CC1(C)COC(=O)C)C

InChI

InChI=1S/C21H28O3/c1-5-19-17-7-6-15-11-20(23)13(2)10-18(15)16(17)8-9-21(19,4)12-24-14(3)22/h8-9,11,13,17,19H,5-7,10,12H2,1-4H3