[3,4-di(hexadecanoyloxy)-1-phosphono-butyl]phosphonic acid

Systemtic Name: [3,4-di(hexadecanoyloxy)-1-phosphono-butyl]phosphonic acid Openeye Name: [3,4-di(hexadecanoyloxy)-1-phosphono-butyl]phosphonic acid CAS Name: [3,4-bis(1-oxohexadecoxy)-1-phosphonobutyl]phosphonic acid IUPAC Name: [3,4-di(hexadecanoyloxy)-1-phosphonobutyl]phosphonic acid Traditional Name: [3,4-di(hexadecanoyloxy)-1-phosphono-butyl]phosphonic acid Formula: C36H72O10P2 MolecularWeight: 726.898402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)P(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)P(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C36H72O10P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)45-32-33(31-36(47(39,40)41)48(42,43)44)46-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3,(H2,39,40,41)(H2,42,43,44)