3-(4-prop-2-ynylsulfonylphenyl)propanoic acid

Systemtic Name: 3-(4-prop-2-ynylsulfonylphenyl)propanoic acid Openeye Name: 3-(4-prop-2-ynylsulfonylphenyl)propanoic acid CAS Name: 3-(4-prop-2-ynylsulfonylphenyl)propanoic acid IUPAC Name: 3-(4-prop-2-ynylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-propargylsulfonylphenyl)propionic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

C#CCS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

C#CCS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C12H12O4S/c1-2-9-17(15,16)11-6-3-10(4-7-11)5-8-12(13)14/h1,3-4,6-7H,5,8-9H2,(H,13,14)