(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbodithioate

Systemtic Name: (5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbodithioate Openeye Name: (5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbodithioate CAS Name: 4-nitrobenzenecarbodithioic acid (5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl) ester IUPAC Name: (5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl) 4-nitrobenzenecarbodithioate Traditional Name: 4-nitrobenzenecarbodithioic acid (2-keto-5,5-dimethyl-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(=O)(OC1)SC(=S)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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