2-azanyl-5-(propanoylamino)benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-(propanoylamino)benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-(propanoylamino)benzene-1,4-disulfonic acid CAS Name: 2-amino-5-(1-oxopropylamino)benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-(propanoylamino)benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-propionamido-benzene-1,4-disulfonic acid Formula: C9H12N2O7S2 MolecularWeight: 324.33078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O7S2/c1-2-9(12)11-6-4-7(19(13,14)15)5(10)3-8(6)20(16,17)18/h3-4H,2,10H2,1H3,(H,11,12)(H,13,14,15)(H,16,17,18)