4-[[3,6-bis(chloranyl)-2-sulfanyl-phenyl]-methanoyl-amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[3,6-bis(chloranyl)-2-sulfanyl-phenyl]-methanoyl-amino]-3-nitro-benzoic acid Openeye Name: 4-(3,6-dichloro-N-formyl-2-sulfanyl-anilino)-3-nitro-benzoic acid CAS Name: 4-(3,6-dichloro-N-formyl-2-mercaptoanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3,6-dichloro-N-formyl-2-sulfanylanilino)-3-nitrobenzoic acid Traditional Name: 4-(3,6-dichloro-N-formyl-2-mercapto-anilino)-3-nitro-benzoic acid Formula: C14H8Cl2N2O5S MolecularWeight: 387.19472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N(C=O)C2=C(C=CC(=C2S)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N(C=O)C2=C(C=CC(=C2S)Cl)Cl

InChI

InChI=1S/C14H8Cl2N2O5S/c15-8-2-3-9(16)13(24)12(8)17(6-19)10-4-1-7(14(20)21)5-11(10)18(22)23/h1-6,24H,(H,20,21)