2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C15H8I2N4O7S MolecularWeight: 642.12056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8I2N4O7S/c16-7-3-10(14(23)24)12(11(17)4-7)18-15(29)19-13(22)6-1-8(20(25)26)5-9(2-6)21(27)28/h1-5H,(H,23,24)(H2,18,19,22,29)