4-[(4-sulfophenyl)-[(2,4,6-trinitrophenyl)amino]amino]benzenesulfonic acid

Systemtic Name: 4-[(4-sulfophenyl)-[(2,4,6-trinitrophenyl)amino]amino]benzenesulfonic acid Openeye Name: 4-(4-sulfo-N-(2,4,6-trinitroanilino)anilino)benzenesulfonic acid CAS Name: 4-(4-sulfo-N-(2,4,6-trinitroanilino)anilino)benzenesulfonic acid IUPAC Name: 4-(4-sulfo-N-(2,4,6-trinitroanilino)anilino)benzenesulfonic acid Traditional Name: 4-(4-sulfo-N-(2,4,6-trinitroanilino)anilino)besylic acid Formula: C18H13N5O12S2 MolecularWeight: 555.45212

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H13N5O12S2/c24-21(25)13-9-16(22(26)27)18(17(10-13)23(28)29)19-20(11-1-5-14(6-2-11)36(30,31)32)12-3-7-15(8-4-12)37(33,34)35/h1-10,19H,(H,30,31,32)(H,33,34,35)