[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H22O6/c1-11-6-7-15(19-14(22)8-12(2)18(11)19)27-21(23)13-9-16(24-3)20(26-5)17(10-13)25-4/h6-7,9-10,12H,8H2,1-5H3/t12-/m0/s1