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2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-butanoic acid

2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-butanoic acid

Systemtic Name:2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-butanoic acid
Openeye Name:2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-butanoic acid
CAS Name:2-[(3,4-dimethoxyphenyl)methyl]-3-oxobutanoic acid
IUPAC Name:2-[(3,4-dimethoxyphenyl)methyl]-3-oxobutanoic acid
Traditional Name:3-keto-2-veratryl-butyric acid
Formula: C13H16O5
MolecularWeight: 252.26314
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C=C1)OC)OC)C(=O)O


Isomeric SMILES

CC(=O)C(CC1=CC(=C(C=C1)OC)OC)C(=O)O


InChI

InChI=1S/C13H16O5/c1-8(14)10(13(15)16)6-9-4-5-11(17-2)12(7-9)18-3/h4-5,7,10H,6H2,1-3H3,(H,15,16)


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