Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), ethyl tris(1-methylethyl) ester, mixt. with thioperoxydiphosphoric acid ([(HO)2P(S)]2S2) triethyl 1-methylethyl ester
Basic information
- CAS
37333-40-7- Standard SMILES
CCC(CC)C(C)(CC)OP(=S)(OO)OP(=O)(O)O.CCOOP(=S)(OC(C)C)OP(=O)(OC(C)C)OC(C)C- InChIKey
OZGWRVLDBXNOEG-UHFFFAOYSA-N- Molecular formula
- C20H48O14P4S2
- Average molar mass
- 700.6 g/mol
- Monoisotopic mass
- 700.14359654
Names & identifiers
- Preferred name
- Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), ethyl tris(1-methylethyl) ester, mixt. with thioperoxydiphosphoric acid ([(HO)2P(S)]2S2) triethyl 1-methylethyl ester
- IUPAC
- [(4-ethyl-3-methylhexan-3-yl)oxy-hydroperoxyphosphinothioyl] dihydrogen phosphate;[ethylperoxy(propan-2-yloxy)phosphinothioyl] dipropan-2-yl phosphate
Names & synonyms
Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), ethyl tris(1-methylethyl) ester, mixt. with thioperoxydiphosphoric acid ([(HO)2P(S)]2S2) triethyl 1-methylethyl esterNiagara 1,137Thioperoxydiphosphoric acid (((HO)2P(S))2S2), ethyl tris(1-methylethyl) ester, mixt. with thioperoxydiphosphoric acid (((HO)2P(S))2S2) triethyl 1-methylethyl esterBIO 1,137ENT 23,584
Database identifiers
- CAS
37333-40-7- PubChem CID
- 216474
Properties
Computed structural properties
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 20
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 740
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Compound notes
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