3-hexyl-7-(2-methylphenyl)sulfanyl-3H-1-benzofuran-2-one

Systemtic Name: 3-hexyl-7-(2-methylphenyl)sulfanyl-3H-1-benzofuran-2-one Openeye Name: 3-hexyl-7-(o-tolylsulfanyl)-3H-benzofuran-2-one CAS Name: 3-hexyl-7-[(2-methylphenyl)thio]-3H-benzofuran-2-one IUPAC Name: 3-hexyl-7-(2-methylphenyl)sulfanyl-3H-1-benzofuran-2-one Traditional Name: 3-hexyl-7-(o-tolylthio)coumaran-2-one Formula: C21H24O2S MolecularWeight: 340.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=C(C(=CC=C2)SC3=CC=CC=C3C)OC1=O

Isomeric SMILES

CCCCCCC1C2=C(C(=CC=C2)SC3=CC=CC=C3C)OC1=O

InChI

InChI=1S/C21H24O2S/c1-3-4-5-6-11-17-16-12-9-14-19(20(16)23-21(17)22)24-18-13-8-7-10-15(18)2/h7-10,12-14,17H,3-6,11H2,1-2H3