phenyl 4-[[4-azanyl-2,5-bis(chloranyl)phenyl]amino]-3-nitro-benzenesulfonate

Systemtic Name: phenyl 4-[[4-azanyl-2,5-bis(chloranyl)phenyl]amino]-3-nitro-benzenesulfonate Openeye Name: phenyl 4-(4-amino-2,5-dichloro-anilino)-3-nitro-benzenesulfonate CAS Name: 4-(4-amino-2,5-dichloroanilino)-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-amino-2,5-dichloroanilino)-3-nitrobenzenesulfonate Traditional Name: 4-(4-amino-2,5-dichloro-anilino)-3-nitro-benzenesulfonic acid phenyl ester Formula: C18H13Cl2N3O5S MolecularWeight: 454.28392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC3=C(C=C(C(=C3)Cl)N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC3=C(C=C(C(=C3)Cl)N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13Cl2N3O5S/c19-13-10-17(14(20)9-15(13)21)22-16-7-6-12(8-18(16)23(24)25)29(26,27)28-11-4-2-1-3-5-11/h1-10,22H,21H2