butyl 4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfonylbenzoate

Systemtic Name: butyl 4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfonylbenzoate Openeye Name: butyl 4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfonylbenzoate CAS Name: 4-[4-(2-hydroxyethylthio)phenyl]sulfonylbenzoic acid butyl ester IUPAC Name: butyl 4-[4-(2-hydroxyethylsulfanyl)phenyl]sulfonylbenzoate Traditional Name: 4-[4-(2-hydroxyethylthio)phenyl]sulfonylbenzoic acid butyl ester Formula: C19H22O5S2 MolecularWeight: 394.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)SCCO

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)SCCO

InChI

InChI=1S/C19H22O5S2/c1-2-3-13-24-19(21)15-4-8-17(9-5-15)26(22,23)18-10-6-16(7-11-18)25-14-12-20/h4-11,20H,2-3,12-14H2,1H3