3,4-bis(oxidanyl)butyl-[2-[(E)-hexadec-9-enoxy]-3-hexadecylsulfanyl-propoxy]phosphinic acid

Systemtic Name: 3,4-bis(oxidanyl)butyl-[2-[(E)-hexadec-9-enoxy]-3-hexadecylsulfanyl-propoxy]phosphinic acid Openeye Name: 3,4-dihydroxybutyl-[2-[(E)-hexadec-9-enoxy]-3-hexadecylsulfanyl-propoxy]phosphinic acid CAS Name: 3,4-dihydroxybutyl-[2-[(E)-hexadec-9-enoxy]-3-(hexadecylthio)propoxy]phosphinic acid IUPAC Name: 3,4-dihydroxybutyl-[2-[(E)-hexadec-9-enoxy]-3-hexadecylsulfanylpropoxy]phosphinic acid Traditional Name: [3-(cetylthio)-2-[(E)-hexadec-9-enoxy]propoxy]-(3,4-dihydroxybutyl)phosphinic acid Formula: C39H79O6PS MolecularWeight: 707.079721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)(CCC(CO)O)O)OCCCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COP(=O)(CCC(CO)O)O)OCCCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C39H79O6PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-44-39(36-45-46(42,43)33-31-38(41)35-40)37-47-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,38-41H,3-12,14,16-37H2,1-2H3,(H,42,43)/b15-13+