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Home > Nitro Compounds > 8003-98-3
8003-98-3 | diethoxy-(4-nitrophenoxy)-sulfanylidene-phosphorane; dimethoxy-(4-nitrophenoxy)-sulfanylidene-phosphorane
CAS No: 8003-98-3 Catalog No: AG005PGH MDL No:
Product Description
Catalog Number:
AG005PGH
Chemical Name:
diethoxy-(4-nitrophenoxy)-sulfanylidene-phosphorane; dimethoxy-(4-nitrophenoxy)-sulfanylidene-phosphorane
CAS Number:
8003-98-3
Molecular Formula:
C18H24N2O10P2S2
Molecular Weight:
554.4681
IUPAC Name:
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C10H14NO5PS.C8H10NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h5-8H,3-4H2,1-2H3;3-6H,1-2H3
InChI Key:
IMUWOGWSYBMRIQ-UHFFFAOYSA-N
SMILES:
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC.CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.035g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.462g/mol
Monoisotopic Mass:
554.035g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
211A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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