3-chloranyl-6-(6-ethyl-2,3-dimethyl-phenyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 3-chloranyl-6-(6-ethyl-2,3-dimethyl-phenyl)-6-oxidanylidene-hexanoic acid Openeye Name: 3-chloro-6-(6-ethyl-2,3-dimethyl-phenyl)-6-oxo-hexanoic acid CAS Name: 3-chloro-6-(6-ethyl-2,3-dimethylphenyl)-6-oxohexanoic acid IUPAC Name: 3-chloro-6-(6-ethyl-2,3-dimethylphenyl)-6-oxohexanoic acid Traditional Name: 3-chloro-6-(6-ethyl-2,3-dimethyl-phenyl)-6-keto-hexanoic acid Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C)C)C(=O)CCC(CC(=O)O)Cl

Isomeric SMILES

CCC1=C(C(=C(C=C1)C)C)C(=O)CCC(CC(=O)O)Cl

InChI

InChI=1S/C16H21ClO3/c1-4-12-6-5-10(2)11(3)16(12)14(18)8-7-13(17)9-15(19)20/h5-6,13H,4,7-9H2,1-3H3,(H,19,20)