[dioxidanyl-(4-ethyl-3-methyl-hexan-3-yl)oxy-phosphinothioyl] dihydrogen phosphate; [ethylperoxy(propan-2-yloxy)phosphinothioyl] dipropan-2-yl phosphate

Systemtic Name: [dioxidanyl-(4-ethyl-3-methyl-hexan-3-yl)oxy-phosphinothioyl] dihydrogen phosphate; [ethylperoxy(propan-2-yloxy)phosphinothioyl] dipropan-2-yl phosphate Openeye Name: [(1,2-diethyl-1-methyl-butoxy)-hydroperoxy-phosphinothioyl] dihydrogen phosphate; [ethylperoxy(isopropoxy)phosphinothioyl] diisopropyl phosphate CAS Name: [(4-ethyl-3-methylhexan-3-yl)oxy-hydroperoxyphosphinothioyl] dihydrogen phosphate; phosphoric acid [ethyldioxy(propan-2-yloxy)phosphinothioyl] dipropan-2-yl ester IUPAC Name: [(4-ethyl-3-methylhexan-3-yl)oxy-hydroperoxyphosphinothioyl] dihydrogen phosphate; [ethylperoxy(propan-2-yloxy)phosphinothioyl] dipropan-2-yl phosphate Traditional Name: [(1,2-diethyl-1-methyl-butoxy)-hydroperoxy-thiophosphoryl] dihydrogen phosphate; phosphoric acid [ethylperoxy(isopropoxy)thiophosphoryl] diisopropyl ester Formula: C20H48O14P4S2 MolecularWeight: 700.611764

Click to see the large picture

Descriptors Computed from Structure

Canonical 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

Isomeric 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

InChI

InChI=1S/C11H26O7P2S.C9H22O7P2S/c1-8-13-17-20(21,16-11(6)7)18-19(12,14-9(2)3)15-10(4)5;1-5-8(6-2)9(4,7-3)14-18(19,15-10)16-17(11,12)13/h9-11H,8H2,1-7H3;8,10H,5-7H2,1-4H3,(H2,11,12,13)