4-[(3-azanyl-4-chloranyl-phenyl)amino]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(3-azanyl-4-chloranyl-phenyl)amino]-3-nitro-benzenesulfonic acid Openeye Name: 4-(3-amino-4-chloro-anilino)-3-nitro-benzenesulfonic acid CAS Name: 4-(3-amino-4-chloroanilino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(3-amino-4-chloroanilino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(3-amino-4-chloro-anilino)-3-nitro-besylic acid Formula: C12H10ClN3O5S MolecularWeight: 343.7429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O5S/c13-9-3-1-7(5-10(9)14)15-11-4-2-8(22(19,20)21)6-12(11)16(17)18/h1-6,15H,14H2,(H,19,20,21)