(2-sulfanyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-4-yl)methyl octadecanoate

Systemtic Name: (2-sulfanyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-4-yl)methyl octadecanoate Openeye Name: (2-sulfanyl-2-thioxo-1,3,2$l^{5}-dioxaphospholan-4-yl)methyl octadecanoate CAS Name: octadecanoic acid (2-mercapto-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-4-yl)methyl ester IUPAC Name: (2-sulfanyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-4-yl)methyl octadecanoate Traditional Name: stearic acid (2-mercapto-2-thioxo-1,3,2$l^{5}-dioxaphospholan-4-yl)methyl ester Formula: C21H41O4PS2 MolecularWeight: 452.651601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1COP(=S)(O1)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1COP(=S)(O1)S

InChI

InChI=1S/C21H41O4PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-18-20-19-24-26(27,28)25-20/h20H,2-19H2,1H3,(H,27,28)