[(E)-8-methylidene-4,10-bis(oxidanyl)-4,10-dipropyl-tridec-5-en-6-yl] ethanoate

Systemtic Name: [(E)-8-methylidene-4,10-bis(oxidanyl)-4,10-dipropyl-tridec-5-en-6-yl] ethanoate Openeye Name: [(1E)-5-hydroxy-1-(2-hydroxy-2-propyl-pentylidene)-3-methylene-5-propyl-octyl] acetate CAS Name: acetic acid [(E)-4,10-dihydroxy-8-methylene-4,10-dipropyltridec-5-en-6-yl] ester IUPAC Name: [(E)-4,10-dihydroxy-8-methylidene-4,10-dipropyltridec-5-en-6-yl] acetate Traditional Name: acetic acid [(E)-3-hydroxy-1-[2-(2-hydroxy-2-propyl-pentyl)allyl]-3-propyl-hex-1-enyl] ester Formula: C22H40O4 MolecularWeight: 368.5506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(CC(=C)CC(=CC(CCC)(CCC)O)OC(=O)C)O

Isomeric SMILES

CCCC(CCC)(CC(=C)C/C(=C\C(CCC)(CCC)O)/OC(=O)C)O

InChI

InChI=1S/C22H40O4/c1-7-11-21(24,12-8-2)16-18(5)15-20(26-19(6)23)17-22(25,13-9-3)14-10-4/h17,24-25H,5,7-16H2,1-4,6H3/b20-17+