2,6-bis(chloranyl)-4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 2,6-bis(chloranyl)-4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 2,6-dichloro-4-[(3,5-dinitrobenzoyl)carbamothioylamino]phenolate CAS Name: 2,6-dichloro-4-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 2,6-dichloro-4-[(3,5-dinitrobenzoyl)carbamothioylamino]phenolate Traditional Name: 2,6-dichloro-4-[(3,5-dinitrobenzoyl)thiocarbamoylamino]phenolate Formula: C14H7Cl2N4O6S- MolecularWeight: 430.19958

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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=CC(=C(C(=C2)Cl)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H8Cl2N4O6S/c15-10-3-7(4-11(16)12(10)21)17-14(27)18-13(22)6-1-8(19(23)24)5-9(2-6)20(25)26/h1-5,21H,(H2,17,18,22,27)/p-1