[1-(4-chloranylphenoxy)-1-phenyl-3-sulfooxy-propan-2-yl] hydrogen sulfate

Systemtic Name: [1-(4-chloranylphenoxy)-1-phenyl-3-sulfooxy-propan-2-yl] hydrogen sulfate Openeye Name: [2-(4-chlorophenoxy)-2-phenyl-1-(sulfooxymethyl)ethyl] hydrogen sulfate CAS Name: sulfuric acid [1-(4-chlorophenoxy)-1-phenyl-3-sulfooxypropan-2-yl] ester IUPAC Name: [1-(4-chlorophenoxy)-1-phenyl-3-sulfooxypropan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4-chlorophenoxy)-2-phenyl-1-(sulfoxymethyl)ethyl] ester Formula: C15H15ClO9S2 MolecularWeight: 438.8572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(COS(=O)(=O)O)OS(=O)(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClO9S2/c16-12-6-8-13(9-7-12)24-15(11-4-2-1-3-5-11)14(25-27(20,21)22)10-23-26(17,18)19/h1-9,14-15H,10H2,(H,17,18,19)(H,20,21,22)