S-phenyl (E)-3-tert-butylsulfonylprop-2-enethioate

Systemtic Name: S-phenyl (E)-3-tert-butylsulfonylprop-2-enethioate Openeye Name: S-phenyl (E)-3-tert-butylsulfonylprop-2-enethioate CAS Name: (E)-3-tert-butylsulfonyl-2-propenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-3-tert-butylsulfonylprop-2-enethioate Traditional Name: (E)-3-tert-butylsulfonylprop-2-enethioic acid S-phenyl ester Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C=CC(=O)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)S(=O)(=O)/C=C/C(=O)SC1=CC=CC=C1

InChI

InChI=1S/C13H16O3S2/c1-13(2,3)18(15,16)10-9-12(14)17-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+