(3-hydroxyphenyl) propane-2-sulfonate

Systemtic Name: (3-hydroxyphenyl) propane-2-sulfonate Openeye Name: (3-hydroxyphenyl) propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: (3-hydroxyphenyl) propane-2-sulfonate Traditional Name: propane-2-sulfonic acid (3-hydroxyphenyl) ester Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=CC=CC(=C1)O

Isomeric SMILES

CC(C)S(=O)(=O)OC1=CC=CC(=C1)O

InChI

InChI=1S/C9H12O4S/c1-7(2)14(11,12)13-9-5-3-4-8(10)6-9/h3-7,10H,1-2H3