2-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(2-chloro-4-nitro-benzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C15H8ClI2N3O5S MolecularWeight: 631.56806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C15H8ClI2N3O5S/c16-10-5-7(21(25)26)1-2-8(10)13(22)20-15(27)19-12-9(14(23)24)3-6(17)4-11(12)18/h1-5H,(H,23,24)(H2,19,20,22,27)