4-[[4-[(2,4-dinitrophenyl)amino]-3-nitro-phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[4-[(2,4-dinitrophenyl)amino]-3-nitro-phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[4-(2,4-dinitroanilino)-3-nitro-phenyl]azobenzenesulfonic acid CAS Name: 4-[4-(2,4-dinitroanilino)-3-nitrophenyl]azobenzenesulfonic acid IUPAC Name: 4-[[4-(2,4-dinitroanilino)-3-nitrophenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-[4-(2,4-dinitroanilino)-3-nitro-phenyl]azobesylic acid Formula: C18H12N6O9S MolecularWeight: 488.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H12N6O9S/c25-22(26)13-4-8-16(18(10-13)24(29)30)19-15-7-3-12(9-17(15)23(27)28)21-20-11-1-5-14(6-2-11)34(31,32)33/h1-10,19H,(H,31,32,33)