2-(4-methylphenyl)sulfonyl-3-phenethyloxy-propanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-phenethyloxy-propanoic acid Openeye Name: 3-phenethyloxy-2-(p-tolylsulfonyl)propanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-3-phenethyloxypropanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-phenethyloxypropanoic acid Traditional Name: 3-phenethyloxy-2-tosyl-propionic acid Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(COCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(COCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O5S/c1-14-7-9-16(10-8-14)24(21,22)17(18(19)20)13-23-12-11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,19,20)