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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(=O)O)C=CCC2=C(C3=C(COC3=O)C(=C2OC)C)OC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1C(=O)O)/C=C/CC2=C(C3=C(COC3=O)C(=C2OC)C)OC(=O)C

InChI

InChI=1S/C23H22O7/c1-12-7-5-8-15(18(12)22(25)26)9-6-10-16-20(28-4)13(2)17-11-29-23(27)19(17)21(16)30-14(3)24/h5-9H,10-11H2,1-4H3,(H,25,26)/b9-6+