(3S)-3-(2,6-dimethoxyphenyl)pentanoic acid

Systemtic Name: (3S)-3-(2,6-dimethoxyphenyl)pentanoic acid Openeye Name: (3S)-3-(2,6-dimethoxyphenyl)pentanoic acid CAS Name: (3S)-3-(2,6-dimethoxyphenyl)pentanoic acid IUPAC Name: (3S)-3-(2,6-dimethoxyphenyl)pentanoic acid Traditional Name: (3S)-3-(2,6-dimethoxyphenyl)valeric acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C1=C(C=CC=C1OC)OC

Isomeric SMILES

CC[C@@H](CC(=O)O)C1=C(C=CC=C1OC)OC

InChI

InChI=1S/C13H18O4/c1-4-9(8-12(14)15)13-10(16-2)6-5-7-11(13)17-3/h5-7,9H,4,8H2,1-3H3,(H,14,15)/t9-/m0/s1