[(E)-3-hexadecanoyl-1,2-bis(oxidanyl)-4-oxidanylidene-henicos-12-enoxy]-N-(2-hydroxyethyl)phosphonamidic acid

Systemtic Name: [(E)-3-hexadecanoyl-1,2-bis(oxidanyl)-4-oxidanylidene-henicos-12-enoxy]-N-(2-hydroxyethyl)phosphonamidic acid Openeye Name: [(E)-3-hexadecanoyl-1,2-dihydroxy-4-oxo-henicos-12-enoxy]-N-(2-hydroxyethyl)phosphonamidic acid CAS Name: [(E)-1,2-dihydroxy-4-oxo-3-(1-oxohexadecyl)heneicos-12-enoxy]-N-(2-hydroxyethyl)phosphonamidic acid IUPAC Name: [(E)-3-hexadecanoyl-1,2-dihydroxy-4-oxohenicos-12-enoxy]-N-(2-hydroxyethyl)phosphonamidic acid Traditional Name: [(E)-3-hexadecanoyl-1,2-dihydroxy-4-keto-heneicos-12-enoxy]-N-(2-hydroxyethyl)phosphonamidic acid Formula: C39H76NO8P MolecularWeight: 717.996401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C(C(O)OP(=O)(NCCO)O)O)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C(C(O)OP(=O)(NCCO)O)O)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(43)37(38(44)39(45)48-49(46,47)40-33-34-41)35(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-39,41,44-45H,3-16,19-34H2,1-2H3,(H2,40,46,47)/b18-17+