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

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-ethanoylsulfanyl-2-methyl-propanoic acid Openeye Name: 2-acetylsulfanyl-2-methyl-propanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 2-(acetylthio)-2-methylpropanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: 2-acetylsulfanyl-2-methylpropanoic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 2-(acetylthio)-2-methyl-propionic acid; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O3S.C6H4/c1-4(7)10-6(2,3)5(8)9;1-2-5-4-6(5)3-1/h1-3H3,(H,8,9);1-4H