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

Systemtic Name: 2-[(S)-(2,4-dimethylphenyl)-oxidanyl-methyl]benzoate Openeye Name: 2-[(S)-(2,4-dimethylphenyl)-hydroxy-methyl]benzoate CAS Name: 2-[(S)-(2,4-dimethylphenyl)-hydroxymethyl]benzoate IUPAC Name: 2-[(S)-(2,4-dimethylphenyl)-hydroxymethyl]benzoate Traditional Name: 2-[(S)-(2,4-dimethylphenyl)-hydroxy-methyl]benzoate Formula: C16H15O3- MolecularWeight: 255.2885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2C(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@@H](C2=CC=CC=C2C(=O)[O-])O)C

InChI

InChI=1S/C16H16O3/c1-10-7-8-12(11(2)9-10)15(17)13-5-3-4-6-14(13)16(18)19/h3-9,15,17H,1-2H3,(H,18,19)/p-1/t15-/m0/s1