3-deuterio-3-(4-methylphenyl)sulfonyl-propanoic acid

Systemtic Name: 3-deuterio-3-(4-methylphenyl)sulfonyl-propanoic acid Openeye Name: 3-deuterio-3-(p-tolylsulfonyl)propanoic acid CAS Name: 3-deuterio-3-(4-methylphenyl)sulfonylpropanoic acid IUPAC Name: 3-deuterio-3-(4-methylphenyl)sulfonylpropanoic acid Traditional Name: 3-deuterio-3-tosyl-propionic acid Formula: C10H12O4S MolecularWeight: 229.271042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O

Isomeric SMILES

[2H]C(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C10H12O4S/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)/i7D