2-(2-sulfonylbutanoylamino)benzene-1,4-disulfonic acid

Systemtic Name: 2-(2-sulfonylbutanoylamino)benzene-1,4-disulfonic acid Openeye Name: 2-(2-sulfonylbutanoylamino)benzene-1,4-disulfonic acid CAS Name: 2-[(1-oxo-2-sulfonylbutyl)amino]benzene-1,4-disulfonic acid IUPAC Name: 2-(2-sulfonylbutanoylamino)benzene-1,4-disulfonic acid Traditional Name: 2-(2-sulfonylbutanoylamino)benzene-1,4-disulfonic acid Formula: C10H11NO9S3 MolecularWeight: 385.39064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S(=O)=O)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(=S(=O)=O)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H11NO9S3/c1-2-8(21(13)14)10(12)11-7-5-6(22(15,16)17)3-4-9(7)23(18,19)20/h3-5H,2H2,1H3,(H,11,12)(H,15,16,17)(H,18,19,20)