2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoic acid Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoic acid CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylthio)-3-methylbutanoic acid IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methylbutanoic acid Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylthio)-3-methyl-butyric acid Formula: C17H22O6S2 MolecularWeight: 386.48298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C(=O)O)C(C)(C)SCCO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C(=O)O)C(C)(C)SCCO

InChI

InChI=1S/C17H22O6S2/c1-4-5-11-23-13-6-8-14(9-7-13)25(21,22)15(16(19)20)17(2,3)24-12-10-18/h6-9,15,18H,10-12H2,1-3H3,(H,19,20)