(4-sulfanylphenyl) propane-1-sulfonate

Systemtic Name: (4-sulfanylphenyl) propane-1-sulfonate Openeye Name: (4-sulfanylphenyl) propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: (4-sulfanylphenyl) propane-1-sulfonate Traditional Name: propane-1-sulfonic acid (4-mercaptophenyl) ester Formula: C9H12O3S2 MolecularWeight: 232.31978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S2/c1-2-7-14(10,11)12-8-3-5-9(13)6-4-8/h3-6,13H,2,7H2,1H3