1-[[(E)-1,2-bis(oxidanyl)-4-oxidanylidene-henicos-12-en-3-yl]oxy-oxidanyl-phosphoryl]butyl-trimethyl-azanium

Systemtic Name: 1-[[(E)-1,2-bis(oxidanyl)-4-oxidanylidene-henicos-12-en-3-yl]oxy-oxidanyl-phosphoryl]butyl-trimethyl-azanium Openeye Name: 1-[[(E)-1-(1,2-dihydroxyethyl)-2-oxo-nonadec-10-enoxy]-hydroxy-phosphoryl]butyl-trimethyl-ammonium CAS Name: 1-[[(E)-1,2-dihydroxy-4-oxoheneicos-12-en-3-yl]oxy-hydroxyphosphoryl]butyl-trimethylammonium IUPAC Name: 1-[[(E)-1,2-dihydroxy-4-oxohenicos-12-en-3-yl]oxy-hydroxyphosphoryl]butyl-trimethylazanium Traditional Name: 1-[[(E)-1-(1,2-dihydroxyethyl)-2-keto-nonadec-10-enoxy]-hydroxy-phosphoryl]butyl-trimethyl-ammonium Formula: C28H57NO6P+ MolecularWeight: 534.729041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(CO)O)OP(=O)(C(CCC)[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(CO)O)OP(=O)(C(CCC)[N+](C)(C)C)O

InChI

InChI=1S/C28H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(31)28(26(32)24-30)35-36(33,34)27(22-7-2)29(3,4)5/h14-15,26-28,30,32H,6-13,16-24H2,1-5H3/p+1/b15-14+