3-methyl-3-sulfanyl-2-benzofuran-1-one

Systemtic Name: 3-methyl-3-sulfanyl-2-benzofuran-1-one Openeye Name: 3-methyl-3-sulfanyl-isobenzofuran-1-one CAS Name: 3-mercapto-3-methyl-1-isobenzofuranone IUPAC Name: 3-methyl-3-sulfanyl-2-benzofuran-1-one Traditional Name: 3-mercapto-3-methyl-phthalide Formula: C9H8O2S MolecularWeight: 180.22362

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)O1)S

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)O1)S

InChI

InChI=1S/C9H8O2S/c1-9(12)7-5-3-2-4-6(7)8(10)11-9/h2-5,12H,1H3