disodium (1-phenylmethoxy-3-sulfonatooxy-propan-2-yl) sulfate

Systemtic Name: disodium (1-phenylmethoxy-3-sulfonatooxy-propan-2-yl) sulfate Openeye Name: disodium [1-(benzyloxymethyl)-2-sulfonatooxy-ethyl] sulfate CAS Name: disodium (1-phenylmethoxy-3-sulfonatooxypropan-2-yl) sulfate IUPAC Name: disodium (1-phenylmethoxy-3-sulfonatooxypropan-2-yl) sulfate Traditional Name: disodium [1-(benzoxymethyl)-2-sulfato-ethyl] sulfate Formula: C10H12Na2O9S2 MolecularWeight: 386.30642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COCC(COS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C10H14O9S2.2Na/c11-20(12,13)18-8-10(19-21(14,15)16)7-17-6-9-4-2-1-3-5-9;;/h1-5,10H,6-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2