5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pentoxy-furan-2-one

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pentoxy-furan-2-one Openeye Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pentoxy-furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pentoxy-2-furanone IUPAC Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-pentoxyfuran-2-one Traditional Name: 3-amoxy-4-(4-mesylphenyl)-5,5-dimethyl-furan-2-one Formula: C18H24O5S MolecularWeight: 352.44516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(OC1=O)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCOC1=C(C(OC1=O)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H24O5S/c1-5-6-7-12-22-16-15(18(2,3)23-17(16)19)13-8-10-14(11-9-13)24(4,20)21/h8-11H,5-7,12H2,1-4H3