(3S)-5-(4-butylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-(4-butylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-(4-butylphenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: (3S)-5-(4-butylphenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: (3S)-5-(4-butylphenyl)-3-methyl-5-oxopentanoic acid Traditional Name: (3S)-5-(4-butylphenyl)-5-keto-3-methyl-valeric acid Formula: C16H22O3 MolecularWeight: 262.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C[C@H](C)CC(=O)O

InChI

InChI=1S/C16H22O3/c1-3-4-5-13-6-8-14(9-7-13)15(17)10-12(2)11-16(18)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1