disodium [2,6-di(propan-2-yl)phenyl] 2-phosphonatosulfanylethanoate

Systemtic Name: disodium [2,6-di(propan-2-yl)phenyl] 2-phosphonatosulfanylethanoate Openeye Name: disodium (2,6-diisopropylphenyl) 2-phosphonatosulfanylacetate CAS Name: disodium 2-(phosphonatothio)acetic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: disodium [2,6-di(propan-2-yl)phenyl] 2-phosphonatosulfanylacetate Traditional Name: disodium 2-(phosphonatothio)acetic acid (2,6-diisopropylphenyl) ester Formula: C14H19Na2O5PS MolecularWeight: 376.315961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CSP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CSP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C14H21O5PS.2Na/c1-9(2)11-6-5-7-12(10(3)4)14(11)19-13(15)8-21-20(16,17)18;;/h5-7,9-10H,8H2,1-4H3,(H2,16,17,18);;/q;2*+1/p-2