1-(3-hydroxyphenyl)propane-1-sulfonic acid

Systemtic Name: 1-(3-hydroxyphenyl)propane-1-sulfonic acid Openeye Name: 1-(3-hydroxyphenyl)propane-1-sulfonic acid CAS Name: 1-(3-hydroxyphenyl)-1-propanesulfonic acid IUPAC Name: 1-(3-hydroxyphenyl)propane-1-sulfonic acid Traditional Name: 1-(3-hydroxyphenyl)propane-1-sulfonic acid Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)O)S(=O)(=O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)O)S(=O)(=O)O

InChI

InChI=1S/C9H12O4S/c1-2-9(14(11,12)13)7-4-3-5-8(10)6-7/h3-6,9-10H,2H2,1H3,(H,11,12,13)