2-[(6,8-dimethoxy-1-oxidanylidene-isochromen-3-yl)methyl]-4,6-dimethoxy-benzoic acid

Systemtic Name: 2-[(6,8-dimethoxy-1-oxidanylidene-isochromen-3-yl)methyl]-4,6-dimethoxy-benzoic acid Openeye Name: 2-[(6,8-dimethoxy-1-oxo-isochromen-3-yl)methyl]-4,6-dimethoxy-benzoic acid CAS Name: 2-[(6,8-dimethoxy-1-oxo-2-benzopyran-3-yl)methyl]-4,6-dimethoxybenzoic acid IUPAC Name: 2-[(6,8-dimethoxy-1-oxoisochromen-3-yl)methyl]-4,6-dimethoxybenzoic acid Traditional Name: 2-[(1-keto-6,8-dimethoxy-isochromen-3-yl)methyl]-4,6-dimethoxy-benzoic acid Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(OC2=O)CC3=CC(=CC(=C3C(=O)O)OC)OC)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(OC2=O)CC3=CC(=CC(=C3C(=O)O)OC)OC)OC

InChI

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