[(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enyl] N-methylsulfonylcarbamate

Systemtic Name: [(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopent-3-en-1-yl]hept-5-enyl] N-methylsulfonylcarbamate Openeye Name: [(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enyl] N-methylsulfonylcarbamate CAS Name: N-methylsulfonylcarbamic acid [(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enyl] ester IUPAC Name: [(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enyl] N-methylsulfonylcarbamate Traditional Name: N-mesylcarbamic acid [(E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enyl] ester Formula: C24H39NO6S MolecularWeight: 469.63456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C=CC(=O)C1CC=CCCCCOC(=O)NS(=O)(=O)C)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1C=CC(=O)C1C/C=C/CCCCOC(=O)NS(=O)(=O)C)O

InChI

InChI=1S/C24H39NO6S/c1-5-6-17-24(2,3)22(27)16-14-19-13-15-21(26)20(19)12-10-8-7-9-11-18-31-23(28)25-32(4,29)30/h8,10,13-16,19-20,22,27H,5-7,9,11-12,17-18H2,1-4H3,(H,25,28)/b10-8+,16-14+