2-azanyl-5-[(3-nitro-4-sulfo-phenyl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(3-nitro-4-sulfo-phenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-5-(3-nitro-4-sulfo-anilino)benzenesulfonic acid CAS Name: 2-amino-5-(3-nitro-4-sulfoanilino)benzenesulfonic acid IUPAC Name: 2-amino-5-(3-nitro-4-sulfoanilino)benzenesulfonic acid Traditional Name: 2-amino-5-(3-nitro-4-sulfo-anilino)besylic acid Formula: C12H11N3O8S2 MolecularWeight: 389.36104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC(=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC(=C(C=C2)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)N

InChI

InChI=1S/C12H11N3O8S2/c13-9-3-1-8(6-12(9)25(21,22)23)14-7-2-4-11(24(18,19)20)10(5-7)15(16)17/h1-6,14H,13H2,(H,18,19,20)(H,21,22,23)