2-[3-(3,4-dimethoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]benzoic acid CAS Name: 2-[3-(3,4-dimethoxyphenyl)-1-hydroxy-1-oxopropan-2-yl]benzoic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-1-hydroxy-1-oxopropan-2-yl]benzoic acid Traditional Name: 2-(2-hydroxy-2-keto-1-veratryl-ethyl)benzoic acid Formula: C18H18O6 MolecularWeight: 330.33192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O6/c1-23-15-8-7-11(10-16(15)24-2)9-14(18(21)22)12-5-3-4-6-13(12)17(19)20/h3-8,10,14H,9H2,1-2H3,(H,19,20)(H,21,22)