hexadecyl 2-butyl-3-methyl-2-phosphanyloxy-tridecanoate

Systemtic Name: hexadecyl 2-butyl-3-methyl-2-phosphanyloxy-tridecanoate Openeye Name: hexadecyl 2-butyl-3-methyl-2-phosphanyloxy-tridecanoate CAS Name: 2-butyl-3-methyl-2-phosphinooxytridecanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-butyl-3-methyl-2-phosphanyloxytridecanoate Traditional Name: 2-butyl-3-methyl-2-phosphinooxy-tridecanoic acid cetyl ester Formula: C34H69O3P MolecularWeight: 556.883621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCCC)(C(C)CCCCCCCCCC)OP

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCCC)(C(C)CCCCCCCCCC)OP

InChI

InChI=1S/C34H69O3P/c1-5-8-11-13-15-17-18-19-20-21-22-24-26-28-31-36-33(35)34(37-38,30-10-7-3)32(4)29-27-25-23-16-14-12-9-6-2/h32H,5-31,38H2,1-4H3