5-[(3,5-disulfophenyl)carbamoylamino]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(3,5-disulfophenyl)carbamoylamino]benzene-1,3-disulfonic acid Openeye Name: 5-[(3,5-disulfophenyl)carbamoylamino]benzene-1,3-disulfonic acid CAS Name: 5-[[(3,5-disulfoanilino)-oxomethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 5-[(3,5-disulfophenyl)carbamoylamino]benzene-1,3-disulfonic acid Traditional Name: 5-[(3,5-disulfophenyl)carbamoylamino]benzene-1,3-disulfonic acid Formula: C13H12N2O13S4 MolecularWeight: 532.49998

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O13S4/c16-13(14-7-1-9(29(17,18)19)5-10(2-7)30(20,21)22)15-8-3-11(31(23,24)25)6-12(4-8)32(26,27)28/h1-6H,(H2,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)