4-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)methyl]phenyl]methylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-5,5-dipropyl-furan-3-yl)methyl]phenyl]methylsulfonyl]benzenecarbonitrile Openeye Name: 4-[[3-[cyclopropyl-(2-hydroxy-4-oxo-5,5-dipropyl-3-furyl)methyl]phenyl]methylsulfonyl]benzonitrile CAS Name: 4-[[3-[cyclopropyl-(2-hydroxy-4-oxo-5,5-dipropyl-3-furanyl)methyl]phenyl]methylsulfonyl]benzonitrile IUPAC Name: 4-[[3-[cyclopropyl-(2-hydroxy-4-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]methylsulfonyl]benzonitrile Traditional Name: 4-[3-[cyclopropyl-(2-hydroxy-4-keto-5,5-dipropyl-3-furyl)methyl]benzyl]sulfonylbenzonitrile Formula: C28H31NO5S MolecularWeight: 493.61444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=CC=C(C=C4)C#N)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=CC=C(C=C4)C#N)CCC

InChI

InChI=1S/C28H31NO5S/c1-3-14-28(15-4-2)26(30)25(27(31)34-28)24(21-10-11-21)22-7-5-6-20(16-22)18-35(32,33)23-12-8-19(17-29)9-13-23/h5-9,12-13,16,21,24,31H,3-4,10-11,14-15,18H2,1-2H3