4-[3-(hydroxymethyl)-4-methylsulfonyl-phenyl]-5,5-dimethyl-3-propan-2-yloxy-furan-2-one

Systemtic Name: 4-[3-(hydroxymethyl)-4-methylsulfonyl-phenyl]-5,5-dimethyl-3-propan-2-yloxy-furan-2-one Openeye Name: 4-[3-(hydroxymethyl)-4-methylsulfonyl-phenyl]-3-isopropoxy-5,5-dimethyl-furan-2-one CAS Name: 4-[3-(hydroxymethyl)-4-methylsulfonylphenyl]-5,5-dimethyl-3-propan-2-yloxy-2-furanone IUPAC Name: 4-[3-(hydroxymethyl)-4-methylsulfonylphenyl]-5,5-dimethyl-3-propan-2-yloxyfuran-2-one Traditional Name: 3-isopropoxy-4-(4-mesyl-3-methylol-phenyl)-5,5-dimethyl-furan-2-one Formula: C17H22O6S MolecularWeight: 354.41798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6S/c1-10(2)22-15-14(17(3,4)23-16(15)19)11-6-7-13(24(5,20)21)12(8-11)9-18/h6-8,10,18H,9H2,1-5H3