1,3-ditert-butylbenzene thiophosphate dihydrochloride

Systemtic Name: 1,3-ditert-butylbenzene thiophosphate dihydrochloride Openeye Name: 1,3-ditert-butylbenzene thiophosphate dihydrochloride CAS Name: 1,3-ditert-butylbenzene thiophosphate dihydrochloride IUPAC Name: 1,3-ditert-butylbenzene thiophosphate dihydrochloride Traditional Name: 1,3-ditert-butylbenzene thiophosphate dihydrochloride Formula: C14H24Cl2O3PS-3 MolecularWeight: 374.283321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)C(C)(C)C.[O-]P(=S)([O-])[O-].Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)C(C)(C)C.[O-]P(=S)([O-])[O-].Cl.Cl

InChI

InChI=1S/C14H22.2ClH.H3O3PS/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;1-4(2,3)5/h7-10H,1-6H3;2*1H;(H3,1,2,3,5)/p-3