(3S)-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-(4-chloranyl-3-methyl-phenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(4-chloro-3-methyl-phenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(4-chloro-3-methylphenyl)-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(4-chloro-3-methyl-phenyl)-5-keto-3-methyl-valeric acid Formula: C13H15ClO3 MolecularWeight: 254.7094

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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)/t8-/m0/s1