2-[(4-aminophenyl)carbonylamino]-5-azanyl-benzene-1,4-disulfonic acid

Systemtic Name: 2-[(4-aminophenyl)carbonylamino]-5-azanyl-benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-[(4-aminobenzoyl)amino]benzene-1,4-disulfonic acid CAS Name: 2-amino-5-[[(4-aminophenyl)-oxomethyl]amino]benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-[(4-aminobenzoyl)amino]benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-[(4-aminobenzoyl)amino]benzene-1,4-disulfonic acid Formula: C13H13N3O7S2 MolecularWeight: 387.38822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C(=C2)S(=O)(=O)O)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C(=C2)S(=O)(=O)O)N)S(=O)(=O)O)N

InChI

InChI=1S/C13H13N3O7S2/c14-8-3-1-7(2-4-8)13(17)16-10-6-11(24(18,19)20)9(15)5-12(10)25(21,22)23/h1-6H,14-15H2,(H,16,17)(H,18,19,20)(H,21,22,23)