3-[3-(2-methylphenoxy)-2-oxidanyl-propoxy]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-[3-(2-methylphenoxy)-2-oxidanyl-propoxy]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-[2-hydroxy-3-(2-methylphenoxy)propoxy]-3-oxo-propane-1-sulfonic acid CAS Name: 3-[2-hydroxy-3-(2-methylphenoxy)propoxy]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-[2-hydroxy-3-(2-methylphenoxy)propoxy]-3-oxopropane-1-sulfonic acid Traditional Name: 3-[2-hydroxy-3-(2-methylphenoxy)propoxy]-3-keto-propane-1-sulfonic acid Formula: C13H18O7S MolecularWeight: 318.34282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(COC(=O)CCS(=O)(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(COC(=O)CCS(=O)(=O)O)O

InChI

InChI=1S/C13H18O7S/c1-10-4-2-3-5-12(10)19-8-11(14)9-20-13(15)6-7-21(16,17)18/h2-5,11,14H,6-9H2,1H3,(H,16,17,18)