octadecan-1-amine; 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: octadecan-1-amine; 3,4,5-tris(oxidanyl)benzoate Openeye Name: octadecan-1-amine; 3,4,5-trihydroxybenzoate CAS Name: 1-octadecanamine; 3,4,5-trihydroxybenzoate IUPAC Name: octadecan-1-amine; 3,4,5-trihydroxybenzoate Traditional Name: stearylamine; 3,4,5-trihydroxybenzoate Formula: C25H44NO5- MolecularWeight: 438.62056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN.C1=C(C=C(C(=C1O)O)O)C(=O)[O-]

InChI

InChI=1S/C18H39N.C7H6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;8-4-1-3(7(11)12)2-5(9)6(4)10/h2-19H2,1H3;1-2,8-10H,(H,11,12)/p-1