[(3S,7R,10S,11S)-3,7,11-trimethyl-10-oxidanyl-hexadecyl] benzoate

Systemtic Name: [(3S,7R,10S,11S)-3,7,11-trimethyl-10-oxidanyl-hexadecyl] benzoate Openeye Name: [(3S,7R,10S,11S)-10-hydroxy-3,7,11-trimethyl-hexadecyl] benzoate CAS Name: benzoic acid [(3S,7R,10S,11S)-10-hydroxy-3,7,11-trimethylhexadecyl] ester IUPAC Name: [(3S,7R,10S,11S)-10-hydroxy-3,7,11-trimethylhexadecyl] benzoate Traditional Name: benzoic acid [(3S,7R,10S,11S)-10-hydroxy-3,7,11-trimethyl-hexadecyl] ester Formula: C26H44O3 MolecularWeight: 404.62576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(CCC(C)CCCC(C)CCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCC[C@H](C)[C@H](CC[C@H](C)CCC[C@H](C)CCOC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C26H44O3/c1-5-6-8-14-23(4)25(27)18-17-21(2)12-11-13-22(3)19-20-29-26(28)24-15-9-7-10-16-24/h7,9-10,15-16,21-23,25,27H,5-6,8,11-14,17-20H2,1-4H3/t21-,22+,23+,25+/m1/s1