2-[[(E)-3-azanyl-4-oxidanyl-1-oxidanylidene-1-(3,4,5-trimethoxyphenyl)nonadec-5-en-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E)-3-azanyl-4-oxidanyl-1-oxidanylidene-1-(3,4,5-trimethoxyphenyl)nonadec-5-en-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E)-2-amino-3-hydroxy-1-(3,4,5-trimethoxybenzoyl)octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(E)-3-amino-4-hydroxy-1-oxo-1-(3,4,5-trimethoxyphenyl)nonadec-5-en-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E)-3-amino-4-hydroxy-1-oxo-1-(3,4,5-trimethoxyphenyl)nonadec-5-en-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(E)-2-amino-3-hydroxy-1-(3,4,5-trimethoxybenzoyl)octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H60N2O9P+ MolecularWeight: 659.811261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)OP(=O)(O)OCC[N+](C)(C)C)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)OP(=O)(O)OCC[N+](C)(C)C)N)O

InChI

InChI=1S/C33H59N2O9P/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)30(34)33(44-45(38,39)43-23-22-35(2,3)4)31(37)26-24-28(40-5)32(42-7)29(25-26)41-6/h20-21,24-25,27,30,33,36H,8-19,22-23,34H2,1-7H3/p+1/b21-20+