3,4-dimethyl-5-prop-2-ynylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-prop-2-ynylsulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-prop-2-ynylsulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-prop-2-ynylsulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-prop-2-ynylsulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-propargylsulfonyl-benzoic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4S/c1-4-5-17(15,16)11-7-10(12(13)14)6-8(2)9(11)3/h1,6-7H,5H2,2-3H3,(H,13,14)