3,4-bis(oxidanyl)butyl-(2-hexadecoxy-3-hexadecylsulfonyl-propoxy)phosphinic acid

Systemtic Name: 3,4-bis(oxidanyl)butyl-(2-hexadecoxy-3-hexadecylsulfonyl-propoxy)phosphinic acid Openeye Name: 3,4-dihydroxybutyl-(2-hexadecoxy-3-hexadecylsulfonyl-propoxy)phosphinic acid CAS Name: 3,4-dihydroxybutyl-(2-hexadecoxy-3-hexadecylsulfonylpropoxy)phosphinic acid IUPAC Name: 3,4-dihydroxybutyl-(2-hexadecoxy-3-hexadecylsulfonylpropoxy)phosphinic acid Traditional Name: (2-cetyloxy-3-cetylsulfonyl-propoxy)-(3,4-dihydroxybutyl)phosphinic acid Formula: C39H81O8PS MolecularWeight: 741.094401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COP(=O)(CCC(CO)O)O)CS(=O)(=O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(COP(=O)(CCC(CO)O)O)CS(=O)(=O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C39H81O8PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-46-39(36-47-48(42,43)33-31-38(41)35-40)37-49(44,45)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-41H,3-37H2,1-2H3,(H,42,43)