S-[(3R,4R)-4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl] 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-[(3R,4R)-4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl] 3,5-dinitrobenzenecarbothioate Openeye Name: S-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl] 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-[(3R,4R)-4-chloro-1,1-dioxo-3-thiolanyl] ester IUPAC Name: S-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl] 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-[(3R,4R)-4-chloro-1,1-diketo-thiolan-3-yl] ester Formula: C11H9ClN2O7S2 MolecularWeight: 380.78136

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)Cl)SC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@@H](CS1(=O)=O)Cl)SC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9ClN2O7S2/c12-9-4-23(20,21)5-10(9)22-11(15)6-1-7(13(16)17)3-8(2-6)14(18)19/h1-3,9-10H,4-5H2/t9-,10-/m1/s1