3-[3-(4-tert-butylphenyl)-2-methyl-propanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione

Systemtic Name: 3-[3-(4-tert-butylphenyl)-2-methyl-propanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione Openeye Name: 3-[3-(4-tert-butylphenyl)-2-methyl-propanoyl]-5-(2-methylsulfanylpropyl)tetrahydrofuran-2,4-dione CAS Name: 3-[3-(4-tert-butylphenyl)-2-methyl-1-oxopropyl]-5-[2-(methylthio)propyl]oxolane-2,4-dione IUPAC Name: 3-[3-(4-tert-butylphenyl)-2-methylpropanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione Traditional Name: 3-[3-(4-tert-butylphenyl)-2-methyl-propanoyl]-5-[2-(methylthio)propyl]tetrahydrofuran-2,4-quinone Formula: C22H30O4S MolecularWeight: 390.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(=O)C(C(=O)O1)C(=O)C(C)CC2=CC=C(C=C2)C(C)(C)C)SC

Isomeric SMILES

CC(CC1C(=O)C(C(=O)O1)C(=O)C(C)CC2=CC=C(C=C2)C(C)(C)C)SC

InChI

InChI=1S/C22H30O4S/c1-13(11-15-7-9-16(10-8-15)22(3,4)5)19(23)18-20(24)17(26-21(18)25)12-14(2)27-6/h7-10,13-14,17-18H,11-12H2,1-6H3