4-[[3-[2,2-dimethyl-1-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)propyl]phenyl]methylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2,2-dimethyl-1-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)propyl]phenyl]methylsulfonyl]benzenecarbonitrile Openeye Name: 4-[[3-[1-(2-hydroxy-4-oxo-5,5-dipropyl-3-furyl)-2,2-dimethyl-propyl]phenyl]methylsulfonyl]benzonitrile CAS Name: 4-[[3-[1-(2-hydroxy-4-oxo-5,5-dipropyl-3-furanyl)-2,2-dimethylpropyl]phenyl]methylsulfonyl]benzonitrile IUPAC Name: 4-[[3-[1-(2-hydroxy-4-oxo-5,5-dipropylfuran-3-yl)-2,2-dimethylpropyl]phenyl]methylsulfonyl]benzonitrile Traditional Name: 4-[3-[1-(2-hydroxy-4-keto-5,5-dipropyl-3-furyl)-2,2-dimethyl-propyl]benzyl]sulfonylbenzonitrile Formula: C29H35NO5S MolecularWeight: 509.6569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=CC=C(C=C3)C#N)C(C)(C)C)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2=CC=CC(=C2)CS(=O)(=O)C3=CC=C(C=C3)C#N)C(C)(C)C)CCC

InChI

InChI=1S/C29H35NO5S/c1-6-15-29(16-7-2)26(31)24(27(32)35-29)25(28(3,4)5)22-10-8-9-21(17-22)19-36(33,34)23-13-11-20(18-30)12-14-23/h8-14,17,25,32H,6-7,15-16,19H2,1-5H3