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

Systemtic Name: [(E)-7-[2-[(E)-3-methyl-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-3-methyl-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-3-methyloct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enyl] ester IUPAC Name: [(E)-7-[2-[(E)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enyl] N-methylsulfonylcarbamate Traditional Name: N-mesylcarbamic acid [(E)-7-[2-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-5-keto-cyclopent-3-en-1-yl]hept-5-enyl] ester Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO6S/c1-4-5-10-16-23(2,27)17-15-19-13-14-21(25)20(19)12-9-7-6-8-11-18-30-22(26)24-31(3,28)29/h7,9,13-15,17,19-20,27H,4-6,8,10-12,16,18H2,1-3H3,(H,24,26)/b9-7+,17-15+