2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate

Systemtic Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate Openeye Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylthio)-3-methylbutanoate IUPAC Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylsulfanyl)-3-methylbutanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-3-(2-hydroxyethylthio)-3-methyl-butyrate Formula: C17H21O6S2- MolecularWeight: 385.47504

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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)/p-1