2-[[4-(2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)-2,5-dimethoxy-phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-(2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)-2,5-dimethoxy-phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-(2-carboxy-3-hydroxy-3-oxo-propyl)-2,5-dimethoxy-phenyl]methyl]propanedioic acid CAS Name: 2-[[4-(2-carboxy-3-hydroxy-3-oxopropyl)-2,5-dimethoxyphenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-(2-carboxy-3-hydroxy-3-oxopropyl)-2,5-dimethoxyphenyl]methyl]propanedioic acid Traditional Name: 2-[4-(2-carboxy-3-hydroxy-3-keto-propyl)-2,5-dimethoxy-benzyl]malonic acid Formula: C16H18O10 MolecularWeight: 370.30812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CC(C(=O)O)C(=O)O)OC)CC(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1CC(C(=O)O)C(=O)O)OC)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O10/c1-25-11-5-8(4-10(15(21)22)16(23)24)12(26-2)6-7(11)3-9(13(17)18)14(19)20/h5-6,9-10H,3-4H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)