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

Systemtic Name: 5-decanoyl-2-oxidanyl-benzoate; dimethyl-oxidanyl-propan-2-yl-azanium Openeye Name: 5-decanoyl-2-hydroxy-benzoate; hydroxy-isopropyl-dimethyl-ammonium CAS Name: hydroxy-dimethyl-propan-2-ylammonium; 2-hydroxy-5-(1-oxodecyl)benzoate IUPAC Name: 5-decanoyl-2-hydroxybenzoate; hydroxy-dimethyl-propan-2-ylazanium Traditional Name: 5-capryl-2-hydroxy-benzoate; hydroxy-isopropyl-dimethyl-ammonium Formula: C22H37NO5 MolecularWeight: 395.53288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4.C5H14NO/c1-2-3-4-5-6-7-8-9-15(18)13-10-11-16(19)14(12-13)17(20)21;1-5(2)6(3,4)7/h10-12,19H,2-9H2,1H3,(H,20,21);5,7H,1-4H3/q;+1/p-1