3-nitro-4-[(3-sulfophenyl)amino]benzenesulfonic acid

Systemtic Name: 3-nitro-4-[(3-sulfophenyl)amino]benzenesulfonic acid Openeye Name: 3-nitro-4-(3-sulfoanilino)benzenesulfonic acid CAS Name: 3-nitro-4-(3-sulfoanilino)benzenesulfonic acid IUPAC Name: 3-nitro-4-(3-sulfoanilino)benzenesulfonic acid Traditional Name: 3-nitro-4-(3-sulfoanilino)besylic acid Formula: C12H10N2O8S2 MolecularWeight: 374.3464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O8S2/c15-14(16)12-7-10(24(20,21)22)4-5-11(12)13-8-2-1-3-9(6-8)23(17,18)19/h1-7,13H,(H,17,18,19)(H,20,21,22)