3-(4-methylphenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-methylphenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-methylphenoxy)propane-1-sulfonic acid CAS Name: 3-(4-methylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-methylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-methylphenoxy)propane-1-sulfonic acid Formula: C10H14O4S MolecularWeight: 230.28076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCCS(=O)(=O)O

InChI

InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)14-7-2-8-15(11,12)13/h3-6H,2,7-8H2,1H3,(H,11,12,13)