(5-hexadecanoyloxy-1-hexadecanoylperoxy-1-oxidanylidene-pentan-2-yl)phosphonic acid

Systemtic Name: (5-hexadecanoyloxy-1-hexadecanoylperoxy-1-oxidanylidene-pentan-2-yl)phosphonic acid Openeye Name: (4-hexadecanoyloxy-1-hexadecanoylperoxycarbonyl-butyl)phosphonic acid CAS Name: [1-oxo-5-(1-oxohexadecoxy)-1-(1-oxohexadecyldioxy)pentan-2-yl]phosphonic acid IUPAC Name: (5-hexadecanoyloxy-1-hexadecanoylperoxy-1-oxopentan-2-yl)phosphonic acid Traditional Name: (4-hexadecanoyloxy-1-hexadecanoylperoxycarbonyl-butyl)phosphonic acid Formula: C37H71O9P MolecularWeight: 690.928001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCCC(C(=O)OOC(=O)CCCCCCCCCCCCCCC)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCCC(C(=O)OOC(=O)CCCCCCCCCCCCCCC)P(=O)(O)O

InChI

InChI=1S/C37H71O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(38)44-33-29-30-34(47(41,42)43)37(40)46-45-36(39)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,41,42,43)