2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-(3,3-dimethylbutyl)phosphinic acid

Systemtic Name: 2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-(3,3-dimethylbutyl)phosphinic acid Openeye Name: 2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-(3,3-dimethylbutyl)phosphinic acid CAS Name: 2,3-bis(2-mercapto-1-oxohexadecoxy)propoxy-(3,3-dimethylbutyl)phosphinic acid IUPAC Name: 2,3-bis(2-sulfanylhexadecanoyloxy)propoxy-(3,3-dimethylbutyl)phosphinic acid Traditional Name: 2,3-bis(2-mercaptohexadecanoyloxy)propoxy-(3,3-dimethylbutyl)phosphinic acid Formula: C41H81O7PS2 MolecularWeight: 781.181401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)OCC(COP(=O)(CCC(C)(C)C)O)OC(=O)C(CCCCCCCCCCCCCC)S)S

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)OCC(COP(=O)(CCC(C)(C)C)O)OC(=O)C(CCCCCCCCCCCCCC)S)S

InChI

InChI=1S/C41H81O7PS2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37(50)39(42)46-34-36(35-47-49(44,45)33-32-41(3,4)5)48-40(43)38(51)31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-38,50-51H,6-35H2,1-5H3,(H,44,45)