5-(octadecanoylamino)benzene-1,3-disulfonic acid

Systemtic Name: 5-(octadecanoylamino)benzene-1,3-disulfonic acid Openeye Name: 5-(octadecanoylamino)benzene-1,3-disulfonic acid CAS Name: 5-(1-oxooctadecylamino)benzene-1,3-disulfonic acid IUPAC Name: 5-(octadecanoylamino)benzene-1,3-disulfonic acid Traditional Name: 5-stearamidobenzene-1,3-disulfonic acid Formula: C24H41NO7S2 MolecularWeight: 519.71484

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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)