bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-ethanoylsulfanyl-2-methyl-3-phenyl-propanoic acid

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-ethanoylsulfanyl-2-methyl-3-phenyl-propanoic acid Openeye Name: 2-acetylsulfanyl-2-methyl-3-phenyl-propanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 2-(acetylthio)-2-methyl-3-phenylpropanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: 2-acetylsulfanyl-2-methyl-3-phenylpropanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 2-(acetylthio)-2-methyl-3-phenyl-propionic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C18H18O3S MolecularWeight: 314.39872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(CC1=CC=CC=C1)C(=O)O.C1=CC2=CC2=C1

Isomeric SMILES

CC(=O)SC(C)(CC1=CC=CC=C1)C(=O)O.C1=CC2=CC2=C1

InChI

InChI=1S/C12H14O3S.C6H4/c1-9(13)16-12(2,11(14)15)8-10-6-4-3-5-7-10;1-2-5-4-6(5)3-1/h3-7H,8H2,1-2H3,(H,14,15);1-4H