8-(3,4-dimethylphenyl)-8-oxidanylidene-octanoic acid

Systemtic Name: 8-(3,4-dimethylphenyl)-8-oxidanylidene-octanoic acid Openeye Name: 8-(3,4-dimethylphenyl)-8-oxo-octanoic acid CAS Name: 8-(3,4-dimethylphenyl)-8-oxooctanoic acid IUPAC Name: 8-(3,4-dimethylphenyl)-8-oxooctanoic acid Traditional Name: 8-(3,4-dimethylphenyl)-8-keto-caprylic acid Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCCCCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCCCCCC(=O)O)C

InChI

InChI=1S/C16H22O3/c1-12-9-10-14(11-13(12)2)15(17)7-5-3-4-6-8-16(18)19/h9-11H,3-8H2,1-2H3,(H,18,19)