[(1S)-2-(4-methylphenyl)-1-phenyl-ethyl]azanium; (4S)-4-oxidanyldodecanoate

Systemtic Name: [(1S)-2-(4-methylphenyl)-1-phenyl-ethyl]azanium; (4S)-4-oxidanyldodecanoate Openeye Name: (4S)-4-hydroxydodecanoate; [(1S)-1-phenyl-2-(p-tolyl)ethyl]ammonium CAS Name: (4S)-4-hydroxydodecanoate; [(1S)-2-(4-methylphenyl)-1-phenylethyl]ammonium IUPAC Name: (4S)-4-hydroxydodecanoate; [(1S)-2-(4-methylphenyl)-1-phenylethyl]azanium Traditional Name: (4S)-4-hydroxylaurate; [(1S)-1-phenyl-2-(p-tolyl)ethyl]ammonium Formula: C27H41NO3 MolecularWeight: 427.61934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC(=O)[O-])O.CC1=CC=C(C=C1)CC(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

CCCCCCCC[C@@H](CCC(=O)[O-])O.CC1=CC=C(C=C1)C[C@@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C15H17N.C12H24O3/c1-12-7-9-13(10-8-12)11-15(16)14-5-3-2-4-6-14;1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2-10,15H,11,16H2,1H3;11,13H,2-10H2,1H3,(H,14,15)/t15-;11-/m00/s1