5-decanoyl-2-oxidanyl-benzoate; dimethyl-octadecan-2-yl-oxidanyl-azanium

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; dimethyl-octadecan-2-yl-oxidanyl-azanium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; hydroxy-dimethyl-(1-methylheptadecyl)ammonium CAS Name: hydroxy-dimethyl-octadecan-2-ylammonium; 2-hydroxy-5-(1-oxodecyl)benzoate IUPAC Name: 5-decanoyl-2-hydroxybenzoate; hydroxy-dimethyl-octadecan-2-ylazanium Traditional Name: 5-capryl-2-hydroxy-benzoate; hydroxy-dimethyl-(1-methylheptadecyl)ammonium Formula: C37H67NO5 MolecularWeight: 605.93158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)[N+](C)(C)O.CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)[N+](C)(C)O.CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C20H44NO.C17H24O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(3,4)22;1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21/h20,22H,5-19H2,1-4H3;10-12,19H,2-9H2,1H3,(H,20,21)/q+1;/p-1