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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-chloro-4-methyl-phenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(3-chloro-4-methylphenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(3-chloro-4-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=C(C=C1)C(=O)CC(C)CC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CC(C)CC(=O)O)Cl

InChI

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