2,6-bis(azanyl)-3-(3-sulfophenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2,6-bis(azanyl)-3-(3-sulfophenyl)carbonyl-benzenesulfonic acid Openeye Name: 2,6-diamino-3-(3-sulfobenzoyl)benzenesulfonic acid CAS Name: 2,6-diamino-3-[oxo-(3-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 2,6-diamino-3-(3-sulfobenzoyl)benzenesulfonic acid Traditional Name: 2,6-diamino-3-(3-sulfobenzoyl)besylic acid Formula: C13H12N2O7S2 MolecularWeight: 372.37358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O7S2/c14-10-5-4-9(11(15)13(10)24(20,21)22)12(16)7-2-1-3-8(6-7)23(17,18)19/h1-6H,14-15H2,(H,17,18,19)(H,20,21,22)