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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O6/c1-11-6-4-8-14(20(23)24)13(11)7-5-9-15-18(22)17-16(10-27-21(17)25)12(2)19(15)26-3/h4-8,22H,9-10H2,1-3H3,(H,23,24)/b7-5+