(Z,3R)-3-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (Z,3R)-3-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (Z,3R)-3-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-2-hydroxy-but-1-ene-1-diazonium CAS Name: (Z,3R)-3-acetamido-4-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-2-hydroxy-1-butene-1-diazonium IUPAC Name: (Z,3R)-3-acetamido-4-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanyl-2-hydroxybut-1-ene-1-diazonium Traditional Name: (Z,3R)-3-acetamido-4-[[(2E)-3,7-dimethylocta-2,6-dienyl]thio]-2-hydroxy-but-1-ene-1-diazonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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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)/p+1/b13-8+,16-10-/t15-/m0/s1