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

Systemtic Name: [(E)-3-(4-acetyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)prop-1-enyl] 3-methylbenzoate Openeye Name: [(E)-3-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-3-(4-acetyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl] ester IUPAC Name: [(E)-3-(4-acetyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)prop-1-enyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(E)-3-(4-acetoxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)prop-1-enyl] ester Formula: C23H22O7 MolecularWeight: 410.41658

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22O7/c1-13-7-5-8-16(11-13)22(25)28-10-6-9-17-20(27-4)14(2)18-12-29-23(26)19(18)21(17)30-15(3)24/h5-8,10-11H,9,12H2,1-4H3/b10-6+