5-(2-methylsulfanylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione

Systemtic Name: 5-(2-methylsulfanylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione Openeye Name: 5-(2-methylsulfanylpropyl)-3-(4-phenylbutanoyl)tetrahydrofuran-2,4-dione CAS Name: 5-[2-(methylthio)propyl]-3-(1-oxo-4-phenylbutyl)oxolane-2,4-dione IUPAC Name: 5-(2-methylsulfanylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione Traditional Name: 5-[2-(methylthio)propyl]-3-(4-phenylbutanoyl)tetrahydrofuran-2,4-quinone Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(=O)C(C(=O)O1)C(=O)CCCC2=CC=CC=C2)SC

Isomeric SMILES

CC(CC1C(=O)C(C(=O)O1)C(=O)CCCC2=CC=CC=C2)SC

InChI

InChI=1S/C18H22O4S/c1-12(23-2)11-15-17(20)16(18(21)22-15)14(19)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3