(Z)-2-diazonio-1-ethoxy-3-oxidanylidene-7-[(E)-3-phenylprop-2-enyl]sulfanyl-hept-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-3-oxidanylidene-7-[(E)-3-phenylprop-2-enyl]sulfanyl-hept-1-en-1-olate Openeye Name: (Z)-7-[(E)-cinnamyl]sulfanyl-2-diazonio-1-ethoxy-3-oxo-hept-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-oxo-7-[[(E)-3-phenylprop-2-enyl]thio]-1-hepten-1-olate IUPAC Name: (Z)-2-diazonio-1-ethoxy-3-oxo-7-[(E)-3-phenylprop-2-enyl]sulfanylhept-1-en-1-olate Traditional Name: (Z)-7-[[(E)-cinnamyl]thio]-2-diazonio-1-ethoxy-3-keto-hept-1-en-1-olate Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)CCCCSCC=CC1=CC=CC=C1)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)CCCCSC/C=C/C1=CC=CC=C1)\[N+]#N)/[O-]

InChI

InChI=1S/C18H22N2O3S/c1-2-23-18(22)17(20-19)16(21)12-6-7-13-24-14-8-11-15-9-4-3-5-10-15/h3-5,8-11H,2,6-7,12-14H2,1H3/b11-8+