2-[(5,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)methyl]-3,5-dimethoxy-benzoic acid

Systemtic Name: 2-[(5,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)methyl]-3,5-dimethoxy-benzoic acid Openeye Name: 2-[(5,7-dimethoxy-1-oxo-isochromen-3-yl)methyl]-3,5-dimethoxy-benzoic acid CAS Name: 2-[(5,7-dimethoxy-1-oxo-2-benzopyran-3-yl)methyl]-3,5-dimethoxybenzoic acid IUPAC Name: 2-[(5,7-dimethoxy-1-oxoisochromen-3-yl)methyl]-3,5-dimethoxybenzoic acid Traditional Name: 2-[(1-keto-5,7-dimethoxy-isochromen-3-yl)methyl]-3,5-dimethoxy-benzoic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=C(OC(=O)C2=C1)CC3=C(C=C(C=C3C(=O)O)OC)OC)OC

Isomeric SMILES

COC1=CC(=C2C=C(OC(=O)C2=C1)CC3=C(C=C(C=C3C(=O)O)OC)OC)OC

InChI

InChI=1S/C21H20O8/c1-25-11-5-16(20(22)23)14(18(9-11)27-3)7-13-8-15-17(21(24)29-13)6-12(26-2)10-19(15)28-4/h5-6,8-10H,7H2,1-4H3,(H,22,23)