[3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-2-phosphonooxy-pentyl]-trimethyl-azanium

Systemtic Name: [3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-2-phosphonooxy-pentyl]-trimethyl-azanium Openeye Name: [3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-2-phosphonooxy-pentyl]-trimethyl-ammonium CAS Name: [3-[[(E)-docos-13-enyl]thio]-5-methoxy-4-methyl-2-phosphonooxypentyl]-trimethylammonium IUPAC Name: [3-[(E)-docos-13-enyl]sulfanyl-5-methoxy-4-methyl-2-phosphonooxypentyl]-trimethylazanium Traditional Name: [3-[[(E)-docos-13-enyl]thio]-5-methoxy-4-methyl-2-phosphonooxy-pentyl]-trimethyl-ammonium Formula: C32H67NO5PS+ MolecularWeight: 608.916841

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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+