5-(octadecanoylamino)benzene-1,3-disulfonate

Systemtic Name: 5-(octadecanoylamino)benzene-1,3-disulfonate Openeye Name: 5-(octadecanoylamino)benzene-1,3-disulfonate CAS Name: 5-(1-oxooctadecylamino)benzene-1,3-disulfonate IUPAC Name: 5-(octadecanoylamino)benzene-1,3-disulfonate Traditional Name: 5-stearamidobenzene-1,3-disulfonate Formula: C24H39NO7S2-2 MolecularWeight: 517.69896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C24H41NO7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)25-21-18-22(33(27,28)29)20-23(19-21)34(30,31)32/h18-20H,2-17H2,1H3,(H,25,26)(H,27,28,29)(H,30,31,32)/p-2