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

Systemtic Name: 2-[(S)-[4-[(2S)-butan-2-yl]phenyl]-oxidanyl-methyl]benzoate Openeye Name: 2-[(S)-hydroxy-[4-[(1S)-1-methylpropyl]phenyl]methyl]benzoate CAS Name: 2-[(S)-[4-[(2S)-butan-2-yl]phenyl]-hydroxymethyl]benzoate IUPAC Name: 2-[(S)-[4-[(2S)-butan-2-yl]phenyl]-hydroxymethyl]benzoate Traditional Name: 2-[(S)-hydroxy-[4-[(1S)-1-methylpropyl]phenyl]methyl]benzoate Formula: C18H19O3- MolecularWeight: 283.34166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3/c1-3-12(2)13-8-10-14(11-9-13)17(19)15-6-4-5-7-16(15)18(20)21/h4-12,17,19H,3H2,1-2H3,(H,20,21)/p-1/t12-,17-/m0/s1