sodium phenylmethoxymethylbenzene sulfate

Systemtic Name: sodium phenylmethoxymethylbenzene sulfate Openeye Name: sodium benzyloxymethylbenzene sulfate CAS Name: sodium phenylmethoxymethylbenzene sulfate IUPAC Name: sodium phenylmethoxymethylbenzene sulfate Traditional Name: sodium benzoxymethylbenzene sulfate Formula: C14H14NaO5S- MolecularWeight: 317.31273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC=CC=C2.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC=CC=C2.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H14O.Na.H2O4S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;1-5(2,3)4/h1-10H,11-12H2;;(H2,1,2,3,4)/q;+1;/p-2