nitro (2E)-2-(1,3-thiazinan-2-ylidene)nonanoate

Systemtic Name: nitro (2E)-2-(1,3-thiazinan-2-ylidene)nonanoate Openeye Name: nitro (2E)-2-(1,3-thiazinan-2-ylidene)nonanoate CAS Name: (2E)-2-(1,3-thiazinan-2-ylidene)nonanoic acid nitro ester IUPAC Name: nitro (2E)-2-(1,3-thiazinan-2-ylidene)nonanoate Traditional Name: (2E)-2-(1,3-thiazinan-2-ylidene)pelargonic acid nitro ester Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=C1NCCCS1)C(=O)O[N+](=O)[O-]

Isomeric SMILES

CCCCCCC/C(=C\1/NCCCS1)/C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C13H22N2O4S/c1-2-3-4-5-6-8-11(13(16)19-15(17)18)12-14-9-7-10-20-12/h14H,2-10H2,1H3/b12-11+