2,4-bis(chloranyl)-5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid CAS Name: 2,4-dichloro-5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2,4-dichloro-5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid Formula: C16H7Cl3N2O5S MolecularWeight: 445.66118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H7Cl3N2O5S/c17-8-5-9(18)10(4-7(8)16(23)24)20-15(22)14-12(19)6-2-1-3-11(21(25)26)13(6)27-14/h1-5H,(H,20,22)(H,23,24)