2-methyl-3-[4-(4-oxidanylbut-1-ynyl)phenyl]sulfonyl-propanoic acid

Systemtic Name: 2-methyl-3-[4-(4-oxidanylbut-1-ynyl)phenyl]sulfonyl-propanoic acid Openeye Name: 3-[4-(4-hydroxybut-1-ynyl)phenyl]sulfonyl-2-methyl-propanoic acid CAS Name: 3-[4-(4-hydroxybut-1-ynyl)phenyl]sulfonyl-2-methylpropanoic acid IUPAC Name: 3-[4-(4-hydroxybut-1-ynyl)phenyl]sulfonyl-2-methylpropanoic acid Traditional Name: 3-[4-(4-hydroxybut-1-ynyl)phenyl]sulfonyl-2-methyl-propionic acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=C(C=C1)C#CCCO)C(=O)O

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)C#CCCO)C(=O)O

InChI

InChI=1S/C14H16O5S/c1-11(14(16)17)10-20(18,19)13-7-5-12(6-8-13)4-2-3-9-15/h5-8,11,15H,3,9-10H2,1H3,(H,16,17)