1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methyl-3-sulfanyl-butan-1-one

Systemtic Name: 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methyl-3-sulfanyl-butan-1-one Openeye Name: 1-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-3-methyl-3-sulfanyl-butan-1-one CAS Name: 1-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-3-mercapto-3-methyl-1-butanone IUPAC Name: 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methyl-3-sulfanylbutan-1-one Traditional Name: 1-(7-tert-butyl-3,3-dimethyl-coumaran-5-yl)-3-mercapto-3-methyl-butan-1-one Formula: C19H28O2S MolecularWeight: 320.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2C(C)(C)C)C(=O)CC(C)(C)S)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2C(C)(C)C)C(=O)CC(C)(C)S)C

InChI

InChI=1S/C19H28O2S/c1-17(2,3)13-8-12(15(20)10-19(6,7)22)9-14-16(13)21-11-18(14,4)5/h8-9,22H,10-11H2,1-7H3