3-(3-methoxy-4-methylsulfonyloxy-phenyl)propane-1-sulfonic acid

Systemtic Name: 3-(3-methoxy-4-methylsulfonyloxy-phenyl)propane-1-sulfonic acid Openeye Name: 3-(3-methoxy-4-methylsulfonyloxy-phenyl)propane-1-sulfonic acid CAS Name: 3-(3-methoxy-4-methylsulfonyloxyphenyl)-1-propanesulfonic acid IUPAC Name: 3-(3-methoxy-4-methylsulfonyloxyphenyl)propane-1-sulfonic acid Traditional Name: 3-(3-methoxy-4-methylsulfonyloxy-phenyl)propane-1-sulfonic acid Formula: C11H16O7S2 MolecularWeight: 324.37054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCS(=O)(=O)O)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)CCCS(=O)(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C11H16O7S2/c1-17-11-8-9(4-3-7-20(14,15)16)5-6-10(11)18-19(2,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,16)