4-ethyl-3-prop-2-ynylsulfonyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#C

InChI

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