[(3S)-3-[3-(4-methylphenyl)sulfanylfuran-2-yl]-3-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-[3-(4-methylphenyl)sulfanylfuran-2-yl]-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-hydroxy-3-[3-(p-tolylsulfanyl)-2-furyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-3-[3-[(4-methylphenyl)thio]-2-furanyl]propyl] ester IUPAC Name: [(3S)-3-hydroxy-3-[3-(4-methylphenyl)sulfanylfuran-2-yl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-3-[3-(p-tolylthio)-2-furyl]propyl] ester Formula: C21H22O5S2 MolecularWeight: 418.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(OC=C2)C(CCOS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(OC=C2)[C@H](CCOS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H22O5S2/c1-15-3-7-17(8-4-15)27-20-12-13-25-21(20)19(22)11-14-26-28(23,24)18-9-5-16(2)6-10-18/h3-10,12-13,19,22H,11,14H2,1-2H3/t19-/m0/s1