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

Systemtic Name: 5-(2-methylsulfanylpropyl)-3-(3-phenylbutanoyl)oxolane-2,4-dione Openeye Name: 5-(2-methylsulfanylpropyl)-3-(3-phenylbutanoyl)tetrahydrofuran-2,4-dione CAS Name: 5-[2-(methylthio)propyl]-3-(1-oxo-3-phenylbutyl)oxolane-2,4-dione IUPAC Name: 5-(2-methylsulfanylpropyl)-3-(3-phenylbutanoyl)oxolane-2,4-dione Traditional Name: 5-[2-(methylthio)propyl]-3-(3-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)CC(C)C2=CC=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4S/c1-11(13-7-5-4-6-8-13)9-14(19)16-17(20)15(22-18(16)21)10-12(2)23-3/h4-8,11-12,15-16H,9-10H2,1-3H3