(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-oxidanylidene-7-propoxy-chromene-3-carboxylate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-oxidanylidene-7-propoxy-chromene-3-carboxylate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 2-oxo-7-propoxy-chromene-3-carboxylate CAS Name: 2-oxo-7-propoxy-1-benzopyran-3-carboxylic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 2-oxo-7-propoxychromene-3-carboxylate Traditional Name: 2-keto-7-propoxy-chromene-3-carboxylic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OC3=CC(=O)CC(C3)(C)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OC3=CC(=O)CC(C3)(C)C

InChI

InChI=1S/C21H22O6/c1-4-7-25-15-6-5-13-8-17(20(24)27-18(13)10-15)19(23)26-16-9-14(22)11-21(2,3)12-16/h5-6,8-10H,4,7,11-12H2,1-3H3