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

Systemtic Name: S-[(3R,4R)-4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl] 4-nitrobenzenecarbothioate Openeye Name: S-[(3R,4R)-4-chloro-1,1-dioxo-thiolan-3-yl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[(3R,4R)-4-chloro-1,1-dioxo-3-thiolanyl] ester IUPAC Name: S-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[(3R,4R)-4-chloro-1,1-diketo-thiolan-3-yl] ester Formula: C11H10ClNO5S2 MolecularWeight: 335.7838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO5S2/c12-9-5-20(17,18)6-10(9)19-11(14)7-1-3-8(4-2-7)13(15)16/h1-4,9-10H,5-6H2/t9-,10-/m1/s1