bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; 2-methylpropanethioic S-acid

Systemtic Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; 2-methylpropanethioic S-acid Openeye Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; 2-methylpropanethioic S-acid CAS Name: 6-bicyclo[3.1.1]hepta-1(7),2,4-trienone; 2-methylpropanethioic S-acid IUPAC Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; 2-methylpropanethioic S-acid Traditional Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; 2-methylthiopropionic acid Formula: C11H12O2S MolecularWeight: 208.27678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)S.C1=CC2=CC(=C1)C2=O

Isomeric SMILES

CC(C)C(=O)S.C1=CC2=CC(=C1)C2=O

InChI

InChI=1S/C7H4O.C4H8OS/c8-7-5-2-1-3-6(7)4-5;1-3(2)4(5)6/h1-4H;3H,1-2H3,(H,5,6)