[(E)-3-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl] 3-methylbenzoate

Systemtic Name: [(E)-3-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl] 3-methylbenzoate Openeye Name: [(E)-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl] ester IUPAC Name: [(E)-3-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)prop-1-enyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(E)-3-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)prop-1-enyl] ester Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC=CCC2=C(C3=C(COC3=O)C(=C2OC)C)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O/C=C/CC2=C(C3=C(COC3=O)C(=C2OC)C)O

InChI

InChI=1S/C21H20O6/c1-12-6-4-7-14(10-12)20(23)26-9-5-8-15-18(22)17-16(11-27-21(17)24)13(2)19(15)25-3/h4-7,9-10,22H,8,11H2,1-3H3/b9-5+