3-[(2,4-dinitrophenyl)amino]-2-phenylazanyl-benzenesulfonic acid

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]-2-phenylazanyl-benzenesulfonic acid Openeye Name: 2-anilino-3-(2,4-dinitroanilino)benzenesulfonic acid CAS Name: 2-anilino-3-(2,4-dinitroanilino)benzenesulfonic acid IUPAC Name: 2-anilino-3-(2,4-dinitroanilino)benzenesulfonic acid Traditional Name: 2-anilino-3-(2,4-dinitroanilino)besylic acid Formula: C18H14N4O7S MolecularWeight: 430.39136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=CC=C2S(=O)(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=CC=C2S(=O)(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O7S/c23-21(24)13-9-10-14(16(11-13)22(25)26)20-15-7-4-8-17(30(27,28)29)18(15)19-12-5-2-1-3-6-12/h1-11,19-20H,(H,27,28,29)