3-[3-(4-methoxyphenyl)-1-methylsulfonyl-propyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[3-(4-methoxyphenyl)-1-methylsulfonyl-propyl]-3H-2-benzofuran-1-one Openeye Name: 3-[3-(4-methoxyphenyl)-1-methylsulfonyl-propyl]-3H-isobenzofuran-1-one CAS Name: 3-[3-(4-methoxyphenyl)-1-methylsulfonylpropyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[3-(4-methoxyphenyl)-1-methylsulfonylpropyl]-3H-2-benzofuran-1-one Traditional Name: 3-[1-mesyl-3-(4-methoxyphenyl)propyl]phthalide Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(C2C3=CC=CC=C3C(=O)O2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CCC(C2C3=CC=CC=C3C(=O)O2)S(=O)(=O)C

InChI

InChI=1S/C19H20O5S/c1-23-14-10-7-13(8-11-14)9-12-17(25(2,21)22)18-15-5-3-4-6-16(15)19(20)24-18/h3-8,10-11,17-18H,9,12H2,1-2H3