2-[(4-methylphenyl)sulfonylmethyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Openeye Name: 2-(p-tolylsulfonylmethyl)-3,5,6,7-tetrahydro-2H-benzofuran-4-one CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-3,5,6,7-tetrahydro-2H-benzofuran-4-one IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one Traditional Name: 2-(tosylmethyl)-3,5,6,7-tetrahydro-2H-benzofuran-4-one Formula: C16H18O4S MolecularWeight: 306.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2CC3=C(O2)CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2CC3=C(O2)CCCC3=O

InChI

InChI=1S/C16H18O4S/c1-11-5-7-13(8-6-11)21(18,19)10-12-9-14-15(17)3-2-4-16(14)20-12/h5-8,12H,2-4,9-10H2,1H3