(E)-2-diazonio-3-oxidanylidene-4-(phenylsulfonyl)-1-prop-2-enoxy-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-3-oxidanylidene-4-(phenylsulfonyl)-1-prop-2-enoxy-but-1-en-1-olate Openeye Name: (E)-1-allyloxy-4-(benzenesulfonyl)-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-4-(benzenesulfonyl)-2-diazonio-3-oxo-1-prop-2-enoxy-1-buten-1-olate IUPAC Name: (E)-4-(benzenesulfonyl)-2-diazonio-3-oxo-1-prop-2-enoxybut-1-en-1-olate Traditional Name: (E)-1-allyloxy-4-besyl-2-diazonio-3-keto-but-1-en-1-olate Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-2-8-20-13(17)12(15-14)11(16)9-21(18,19)10-6-4-3-5-7-10/h2-7H,1,8-9H2