5-azanyl-2-(2-azanylethylcarbamoylamino)benzene-1,3-disulfonic acid

Systemtic Name: 5-azanyl-2-(2-azanylethylcarbamoylamino)benzene-1,3-disulfonic acid Openeye Name: 5-amino-2-(2-aminoethylcarbamoylamino)benzene-1,3-disulfonic acid CAS Name: 5-amino-2-[[(2-aminoethylamino)-oxomethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 5-amino-2-(2-aminoethylcarbamoylamino)benzene-1,3-disulfonic acid Traditional Name: 5-amino-2-(2-aminoethylcarbamoylamino)benzene-1,3-disulfonic acid Formula: C9H14N4O7S2 MolecularWeight: 354.36006

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)NC(=O)NCCN)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)NC(=O)NCCN)S(=O)(=O)O)N

InChI

InChI=1S/C9H14N4O7S2/c10-1-2-12-9(14)13-8-6(21(15,16)17)3-5(11)4-7(8)22(18,19)20/h3-4H,1-2,10-11H2,(H2,12,13,14)(H,15,16,17)(H,18,19,20)