[2-(disulfoamino)-4-(phenylcarbonyl)phenyl]-sulfo-sulfamic acid

Systemtic Name: [2-(disulfoamino)-4-(phenylcarbonyl)phenyl]-sulfo-sulfamic acid Openeye Name: [4-benzoyl-2-(disulfoamino)phenyl]-sulfo-sulfamic acid CAS Name: [4-benzoyl-2-(disulfoamino)phenyl]-sulfosulfamic acid IUPAC Name: [4-benzoyl-2-(disulfoamino)phenyl]-sulfosulfamic acid Traditional Name: [4-benzoyl-2-(disulfoamino)phenyl]-sulfo-sulfamic acid Formula: C13H12N2O13S4 MolecularWeight: 532.49998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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