2-[(S)-(3,4-dimethoxyphenyl)-oxidanyl-methyl]benzoate

Systemtic Name: 2-[(S)-(3,4-dimethoxyphenyl)-oxidanyl-methyl]benzoate Openeye Name: 2-[(S)-(3,4-dimethoxyphenyl)-hydroxy-methyl]benzoate CAS Name: 2-[(S)-(3,4-dimethoxyphenyl)-hydroxymethyl]benzoate IUPAC Name: 2-[(S)-(3,4-dimethoxyphenyl)-hydroxymethyl]benzoate Traditional Name: 2-[(S)-(3,4-dimethoxyphenyl)-hydroxy-methyl]benzoate Formula: C16H15O5- MolecularWeight: 287.2873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2C(=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=CC=CC=C2C(=O)[O-])O)OC

InChI

InChI=1S/C16H16O5/c1-20-13-8-7-10(9-14(13)21-2)15(17)11-5-3-4-6-12(11)16(18)19/h3-9,15,17H,1-2H3,(H,18,19)/p-1/t15-/m0/s1