4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxymethyl]-2-(phenylsulfonyl)but-3-ynoic acid

Systemtic Name: 4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxymethyl]-2-(phenylsulfonyl)but-3-ynoic acid Openeye Name: 2-(benzenesulfonyl)-2-(tert-butoxymethyl)-4-(p-tolyl)but-3-ynoic acid CAS Name: 2-(benzenesulfonyl)-4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-butynoic acid IUPAC Name: 2-(benzenesulfonyl)-4-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxymethyl]but-3-ynoic acid Traditional Name: 2-besyl-2-(tert-butoxymethyl)-4-(p-tolyl)but-3-ynoic acid Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(COC(C)(C)C)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(COC(C)(C)C)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24O5S/c1-17-10-12-18(13-11-17)14-15-22(20(23)24,16-27-21(2,3)4)28(25,26)19-8-6-5-7-9-19/h5-13H,16H2,1-4H3,(H,23,24)