(Z,3R)-3-acetamido-1-diazonio-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-but-1-en-2-olate

Systemtic Name: (Z,3R)-3-acetamido-1-diazonio-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-but-1-en-2-olate Openeye Name: (Z,3R)-3-acetamido-1-diazonio-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-but-1-en-2-olate CAS Name: (Z,3R)-3-acetamido-1-diazonio-4-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-1-buten-2-olate IUPAC Name: (Z,3R)-3-acetamido-1-diazonio-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylbut-1-en-2-olate Traditional Name: (Z,3R)-3-acetamido-1-diazonio-4-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]but-1-en-2-olate Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCSCC(C(=C[N+]#N)[O-])NC(=O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CSC[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)C)/C)C

InChI

InChI=1S/C16H25N3O2S/c1-12(2)6-5-7-13(3)8-9-22-11-15(19-14(4)20)16(21)10-18-17/h6,8,10,15H,5,7,9,11H2,1-4H3,(H-,19,20,21)/b13-8+,16-10-/t15-/m0/s1