[(E)-2-[(E)-octadec-9-enoyl]-3-oxidanylidene-1-phenyl-icos-11-enyl]azanium chloride

Systemtic Name: [(E)-2-[(E)-octadec-9-enoyl]-3-oxidanylidene-1-phenyl-icos-11-enyl]azanium chloride Openeye Name: [(E)-2-[(E)-octadec-9-enoyl]-3-oxo-1-phenyl-icos-11-enyl]ammonium chloride CAS Name: [(E)-3-oxo-2-[(E)-1-oxooctadec-9-enyl]-1-phenyleicos-11-enyl]ammonium chloride IUPAC Name: [(E)-2-[(E)-octadec-9-enoyl]-3-oxo-1-phenylicos-11-enyl]azanium chloride Traditional Name: [(E)-3-keto-2-[(E)-octadec-9-enoyl]-1-phenyl-eicos-11-enyl]ammonium chloride Formula: C44H76ClNO2 MolecularWeight: 686.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(C1=CC=CC=C1)[NH3+])C(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(=O)CCCCCCC/C=C/CCCCCCCC)C([NH3+])C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C44H75NO2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-41(46)43(44(45)40-36-32-31-33-37-40)42(47)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,31-33,36-37,43-44H,3-16,21-30,34-35,38-39,45H2,1-2H3;1H/b19-17+,20-18+;