2-[(S)-(4-butylphenyl)-oxidanyl-methyl]benzoate

Systemtic Name: 2-[(S)-(4-butylphenyl)-oxidanyl-methyl]benzoate Openeye Name: 2-[(S)-(4-butylphenyl)-hydroxy-methyl]benzoate CAS Name: 2-[(S)-(4-butylphenyl)-hydroxymethyl]benzoate IUPAC Name: 2-[(S)-(4-butylphenyl)-hydroxymethyl]benzoate Traditional Name: 2-[(S)-(4-butylphenyl)-hydroxy-methyl]benzoate Formula: C18H19O3- MolecularWeight: 283.34166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2C(=O)[O-])O

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2C(=O)[O-])O

InChI

InChI=1S/C18H20O3/c1-2-3-6-13-9-11-14(12-10-13)17(19)15-7-4-5-8-16(15)18(20)21/h4-5,7-12,17,19H,2-3,6H2,1H3,(H,20,21)/p-1/t17-/m0/s1