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

Systemtic Name: 2-[(E)-3-(6-ethenyl-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-7-methyl-3-oxo-6-vinyl-1H-isobenzofuran-5-yl)prop-1-enyl]-3-methyl-benzoic acid CAS Name: 2-[(E)-3-(6-ethenyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)prop-1-enyl]-3-methylbenzoic acid IUPAC Name: 2-[(E)-3-(6-ethenyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)prop-1-enyl]-3-methylbenzoic acid Traditional Name: 2-[(E)-3-(4-hydroxy-3-keto-7-methyl-6-vinyl-phthalan-5-yl)prop-1-enyl]-3-methyl-benzoic acid Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C=CCC2=C(C3=C(COC3=O)C(=C2C=C)C)O)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1/C=C/CC2=C(C3=C(COC3=O)C(=C2C=C)C)O)C(=O)O

InChI

InChI=1S/C22H20O5/c1-4-14-13(3)18-11-27-22(26)19(18)20(23)16(14)9-6-8-15-12(2)7-5-10-17(15)21(24)25/h4-8,10,23H,1,9,11H2,2-3H3,(H,24,25)/b8-6+