2-[(S)-[4-(2-methylpropyl)phenyl]-oxidanyl-methyl]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3/c1-12(2)11-13-7-9-14(10-8-13)17(19)15-5-3-4-6-16(15)18(20)21/h3-10,12,17,19H,11H2,1-2H3,(H,20,21)/p-1/t17-/m0/s1