(Z)-16-(4-chloranylsulfonylphenyl)-3-diazonio-2-oxidanylidene-hexadec-3-en-4-olate

Systemtic Name: (Z)-16-(4-chloranylsulfonylphenyl)-3-diazonio-2-oxidanylidene-hexadec-3-en-4-olate Openeye Name: (Z)-16-(4-chlorosulfonylphenyl)-3-diazonio-2-oxo-hexadec-3-en-4-olate CAS Name: (Z)-16-(4-chlorosulfonylphenyl)-3-diazonio-2-oxo-3-hexadecen-4-olate IUPAC Name: (Z)-16-(4-chlorosulfonylphenyl)-3-diazonio-2-oxohexadec-3-en-4-olate Traditional Name: (Z)-16-(4-chlorosulfonylphenyl)-3-diazonio-2-keto-hexadec-3-en-4-olate Formula: C22H31ClN2O4S MolecularWeight: 455.01054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)Cl)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)Cl)/[O-])/[N+]#N

InChI

InChI=1S/C22H31ClN2O4S/c1-18(26)22(25-24)21(27)13-11-9-7-5-3-2-4-6-8-10-12-19-14-16-20(17-15-19)30(23,28)29/h14-17H,2-13H2,1H3