hexadecan-1-amine; 4-oxidanylbenzene-1,3-disulfonic acid

Systemtic Name: hexadecan-1-amine; 4-oxidanylbenzene-1,3-disulfonic acid Openeye Name: hexadecan-1-amine; 4-hydroxybenzene-1,3-disulfonic acid CAS Name: 1-hexadecanamine; 4-hydroxybenzene-1,3-disulfonic acid IUPAC Name: hexadecan-1-amine; 4-hydroxybenzene-1,3-disulfonic acid Traditional Name: cetylamine; 4-hydroxybenzene-1,3-disulfonic acid Formula: C22H41NO7S2 MolecularWeight: 495.69344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN.C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C16H35N.C6H6O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h2-17H2,1H3;1-3,7H,(H,8,9,10)(H,11,12,13)