sodium 5-nitro-2,4-bis(phenylazanyl)benzenesulfonate

Systemtic Name: sodium 5-nitro-2,4-bis(phenylazanyl)benzenesulfonate Openeye Name: sodium 2,4-dianilino-5-nitro-benzenesulfonate CAS Name: sodium 2,4-dianilino-5-nitrobenzenesulfonate IUPAC Name: sodium 2,4-dianilino-5-nitrobenzenesulfonate Traditional Name: sodium 2,4-dianilino-5-nitro-besylate Formula: C18H14N3NaO5S MolecularWeight: 407.37563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S.Na/c22-21(23)17-12-18(27(24,25)26)16(20-14-9-5-2-6-10-14)11-15(17)19-13-7-3-1-4-8-13;/h1-12,19-20H,(H,24,25,26);/q;+1/p-1