3-(4-chloranyl-3-methyl-phenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-chloranyl-3-methyl-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-chloro-3-methyl-phenoxy)propane-1-sulfonic acid CAS Name: 3-(4-chloro-3-methylphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-chloro-3-methylphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-chloro-3-methyl-phenoxy)propane-1-sulfonic acid Formula: C10H13ClO4S MolecularWeight: 264.72582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClO4S/c1-8-7-9(3-4-10(8)11)15-5-2-6-16(12,13)14/h3-4,7H,2,5-6H2,1H3,(H,12,13,14)