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

Systemtic Name: butyl 4-[[4-azanyl-2,5-bis(chloranyl)phenyl]amino]-3-nitro-benzenesulfonate Openeye Name: butyl 4-(4-amino-2,5-dichloro-anilino)-3-nitro-benzenesulfonate CAS Name: 4-(4-amino-2,5-dichloroanilino)-3-nitrobenzenesulfonic acid butyl ester IUPAC Name: butyl 4-(4-amino-2,5-dichloroanilino)-3-nitrobenzenesulfonate Traditional Name: 4-(4-amino-2,5-dichloro-anilino)-3-nitro-benzenesulfonic acid butyl ester Formula: C16H17Cl2N3O5S MolecularWeight: 434.29428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=C(C(=C2)Cl)N)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOS(=O)(=O)C1=CC(=C(C=C1)NC2=C(C=C(C(=C2)Cl)N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17Cl2N3O5S/c1-2-3-6-26-27(24,25)10-4-5-14(16(7-10)21(22)23)20-15-9-11(17)13(19)8-12(15)18/h4-5,7-9,20H,2-3,6,19H2,1H3