[(E)-heptadec-4-en-9-yl] 3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: [(E)-heptadec-4-en-9-yl] 3-methyl-3-nitrososulfanyl-butanoate Openeye Name: [(E)-1-octylnon-5-enyl] 3-methyl-3-nitrososulfanyl-butanoate CAS Name: 3-methyl-3-(nitrosothio)butanoic acid [(E)-heptadec-4-en-9-yl] ester IUPAC Name: [(E)-heptadec-4-en-9-yl] 3-methyl-3-nitrososulfanylbutanoate Traditional Name: 3-methyl-3-(nitrosothio)butyric acid [(E)-1-octylnon-5-enyl] ester Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC=CCCC)OC(=O)CC(C)(C)SN=O

Isomeric SMILES

CCCCCCCCC(CCC/C=C/CCC)OC(=O)CC(C)(C)SN=O

InChI

InChI=1S/C22H41NO3S/c1-5-7-9-11-13-15-17-20(18-16-14-12-10-8-6-2)26-21(24)19-22(3,4)27-23-25/h9,11,20H,5-8,10,12-19H2,1-4H3/b11-9+