3-but-3-ynylsulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-but-3-ynylsulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-but-3-ynylsulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-but-3-ynylsulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-but-3-ynylsulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-but-3-ynylsulfonyl-4,5-dimethyl-benzoic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4S/c1-4-5-6-18(16,17)12-8-11(13(14)15)7-9(2)10(12)3/h1,7-8H,5-6H2,2-3H3,(H,14,15)