6-methyl-3-phenyl-3-phenylsulfanyl-2-benzofuran-1-one

Systemtic Name: 6-methyl-3-phenyl-3-phenylsulfanyl-2-benzofuran-1-one Openeye Name: 6-methyl-3-phenyl-3-phenylsulfanyl-isobenzofuran-1-one CAS Name: 6-methyl-3-phenyl-3-(phenylthio)-1-isobenzofuranone IUPAC Name: 6-methyl-3-phenyl-3-phenylsulfanyl-2-benzofuran-1-one Traditional Name: 6-methyl-3-phenyl-3-(phenylthio)phthalide Formula: C21H16O2S MolecularWeight: 332.41554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OC2=O)(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(OC2=O)(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H16O2S/c1-15-12-13-19-18(14-15)20(22)23-21(19,16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-14H,1H3