(3S,4R)-3-(2-methylpropyl)-4-phenylsulfanyl-oxolane-2,5-dione

Systemtic Name: (3S,4R)-3-(2-methylpropyl)-4-phenylsulfanyl-oxolane-2,5-dione Openeye Name: (3S,4R)-3-isobutyl-4-phenylsulfanyl-tetrahydrofuran-2,5-dione CAS Name: (3S,4R)-3-(2-methylpropyl)-4-(phenylthio)oxolane-2,5-dione IUPAC Name: (3S,4R)-3-(2-methylpropyl)-4-phenylsulfanyloxolane-2,5-dione Traditional Name: (3S,4R)-3-isobutyl-4-(phenylthio)tetrahydrofuran-2,5-quinone Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(C(=O)OC1=O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H]1[C@H](C(=O)OC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C14H16O3S/c1-9(2)8-11-12(14(16)17-13(11)15)18-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t11-,12-/m1/s1