O-(5,5-dimethyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbothioate

Systemtic Name: O-(5,5-dimethyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbothioate Openeye Name: O-(5,5-dimethyl-2-thioxo-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid O-(5,5-dimethyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphosphorinan-2-yl) ester IUPAC Name: O-(5,5-dimethyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid O-(5,5-dimethyl-2-thioxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl) ester Formula: C12H14NO5PS2 MolecularWeight: 347.347021

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COP(=S)(OC1)OC(=S)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(COP(=S)(OC1)OC(=S)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H14NO5PS2/c1-12(2)7-16-19(21,17-8-12)18-11(20)9-3-5-10(6-4-9)13(14)15/h3-6H,7-8H2,1-2H3