S-tert-butyl (E)-5-oxidanyl-3-oxidanylidene-7-phenyl-hept-6-enethioate

Systemtic Name: S-tert-butyl (E)-5-oxidanyl-3-oxidanylidene-7-phenyl-hept-6-enethioate Openeye Name: S-tert-butyl (E)-5-hydroxy-3-oxo-7-phenyl-hept-6-enethioate CAS Name: (E)-5-hydroxy-3-oxo-7-phenyl-6-heptenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E)-5-hydroxy-3-oxo-7-phenylhept-6-enethioate Traditional Name: (E)-5-hydroxy-3-keto-7-phenyl-hept-6-enethioic acid S-tert-butyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(=O)CC(C=CC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)SC(=O)CC(=O)CC(/C=C/C1=CC=CC=C1)O

InChI

InChI=1S/C17H22O3S/c1-17(2,3)21-16(20)12-15(19)11-14(18)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11-12H2,1-3H3/b10-9+