3-acetamido-4-hexadecyl-benzene-1,2-disulfonic acid

Systemtic Name: 3-acetamido-4-hexadecyl-benzene-1,2-disulfonic acid Openeye Name: 3-acetamido-4-hexadecyl-benzene-1,2-disulfonic acid CAS Name: 3-acetamido-4-hexadecylbenzene-1,2-disulfonic acid IUPAC Name: 3-acetamido-4-hexadecylbenzene-1,2-disulfonic acid Traditional Name: 3-acetamido-4-cetyl-benzene-1,2-disulfonic acid Formula: C24H41NO7S2 MolecularWeight: 519.71484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

InChI

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