1-ethoxytetradecan-2-yl phosphate; [(E)-icos-11-en-2-yl]-methyl-bis(oxidanyl)azanium

Systemtic Name: 1-ethoxytetradecan-2-yl phosphate; [(E)-icos-11-en-2-yl]-methyl-bis(oxidanyl)azanium Openeye Name: dihydroxy-methyl-[(E)-1-methylnonadec-10-enyl]ammonium; 1-(ethoxymethyl)tridecyl phosphate CAS Name: [(E)-eicos-11-en-2-yl]-dihydroxy-methylammonium; 1-ethoxytetradecan-2-yl phosphate IUPAC Name: dihydroxy-[(E)-icos-11-en-2-yl]-methylazanium; 1-ethoxytetradecan-2-yl phosphate Traditional Name: dihydroxy-methyl-[(E)-1-methylnonadec-10-enyl]ammonium; 1-(ethoxymethyl)tridecyl phosphate Formula: C58H121N2O9P MolecularWeight: 1021.563101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(COCC)OP(=O)([O-])[O-].CCCCCCCCC=CCCCCCCCCC(C)[N+](C)(O)O.CCCCCCCCC=CCCCCCCCCC(C)[N+](C)(O)O

Isomeric SMILES

CCCCCCCCCCCCC(OP(=O)([O-])[O-])COCC.CCCCCCCC/C=C/CCCCCCCCC([N+](O)(O)C)C.CCCCCCCC/C=C/CCCCCCCCC([N+](O)(O)C)C

InChI

InChI=1S/2C21H44NO2.C16H35O5P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22(3,23)24;1-3-5-6-7-8-9-10-11-12-13-14-16(15-20-4-2)21-22(17,18)19/h2*11-12,21,23-24H,4-10,13-20H2,1-3H3;16H,3-15H2,1-2H3,(H2,17,18,19)/q2*+1;/p-2/b2*12-11+;