(E,6S)-2-methyl-6-(4-methylphenyl)-6-oxidanyl-hept-2-enoate

Systemtic Name: (E,6S)-2-methyl-6-(4-methylphenyl)-6-oxidanyl-hept-2-enoate Openeye Name: (E,6S)-6-hydroxy-2-methyl-6-(p-tolyl)hept-2-enoate CAS Name: (E,6S)-6-hydroxy-2-methyl-6-(4-methylphenyl)-2-heptenoate IUPAC Name: (E,6S)-6-hydroxy-2-methyl-6-(4-methylphenyl)hept-2-enoate Traditional Name: (E,6S)-6-hydroxy-2-methyl-6-(p-tolyl)hept-2-enoate Formula: C15H19O3- MolecularWeight: 247.30956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(CCC=C(C)C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](C)(CC/C=C(\C)/C(=O)[O-])O

InChI

InChI=1S/C15H20O3/c1-11-6-8-13(9-7-11)15(3,18)10-4-5-12(2)14(16)17/h5-9,18H,4,10H2,1-3H3,(H,16,17)/p-1/b12-5+/t15-/m0/s1