(E,2S)-2-methyl-8-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]oct-4-enal

Systemtic Name: (E,2S)-2-methyl-8-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]oct-4-enal Openeye Name: (E,2S)-2-methyl-8-(1-phenyltetrazol-5-yl)sulfonyl-oct-4-enal CAS Name: (E,2S)-2-methyl-8-[(1-phenyl-5-tetrazolyl)sulfonyl]-4-octenal IUPAC Name: (E,2S)-2-methyl-8-(1-phenyltetrazol-5-yl)sulfonyloct-4-enal Traditional Name: (E,2S)-2-methyl-8-(1-phenyltetrazol-5-yl)sulfonyl-oct-4-enal Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2)C=O

Isomeric SMILES

C[C@@H](C/C=C/CCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2)C=O

InChI

InChI=1S/C16H20N4O3S/c1-14(13-21)9-5-2-3-8-12-24(22,23)16-17-18-19-20(16)15-10-6-4-7-11-15/h2,4-7,10-11,13-14H,3,8-9,12H2,1H3/b5-2+/t14-/m0/s1