[3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-1-(trimethylazaniumyl)pentan-2-yl] phosphate

Systemtic Name: [3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-1-(trimethylazaniumyl)pentan-2-yl] phosphate Openeye Name: [2-[(E)-docos-13-enyl]sulfanyl-4-methoxy-3-methyl-1-[(trimethylammonio)methyl]butyl] phosphate CAS Name: [3-[[(E)-docos-13-enyl]thio]-5-methoxy-4-methyl-1-(trimethylammonio)pentan-2-yl] phosphate IUPAC Name: [3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-1-(trimethylazaniumyl)pentan-2-yl] phosphate Traditional Name: [2-[[(E)-docos-13-enyl]thio]-4-methoxy-3-methyl-1-[(trimethylammonio)methyl]butyl] phosphate Formula: C32H65NO5PS- MolecularWeight: 606.900961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCSC(C(C)COC)C(C[N+](C)(C)C)OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCSC(C(C)COC)C(C[N+](C)(C)C)OP(=O)([O-])[O-]

InChI

InChI=1S/C32H66NO5PS/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-40-32(30(2)29-37-6)31(28-33(3,4)5)38-39(34,35)36/h14-15,30-32H,7-13,16-29H2,1-6H3,(H-,34,35,36)/p-1/b15-14+