2-azanyl-4-(3-sulfopropanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(3-sulfopropanoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-(3-sulfopropanoylamino)benzenesulfonic acid CAS Name: 2-amino-4-[(1-oxo-3-sulfopropyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-(3-sulfopropanoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-(3-sulfopropanoylamino)besylic acid Formula: C9H12N2O7S2 MolecularWeight: 324.33078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCS(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCS(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O7S2/c10-7-5-6(1-2-8(7)20(16,17)18)11-9(12)3-4-19(13,14)15/h1-2,5H,3-4,10H2,(H,11,12)(H,13,14,15)(H,16,17,18)