(3S)-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-(4-chloro-3-methyl-phenyl)-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-(4-chloro-3-methyl-phenyl)-5-keto-3-methyl-valerate Formula: C13H14ClO3- MolecularWeight: 253.70146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClO3/c1-8(6-13(16)17)5-12(15)10-3-4-11(14)9(2)7-10/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)/p-1/t8-/m0/s1