[1-[(3-chloranylsulfonylphenyl)diazenyl]-2-(1-cyanoethoxy)-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [1-[(3-chloranylsulfonylphenyl)diazenyl]-2-(1-cyanoethoxy)-2-oxidanylidene-ethyl] benzoate Openeye Name: [1-(3-chlorosulfonylphenyl)azo-2-(1-cyanoethoxy)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-(3-chlorosulfonylphenyl)azo-2-(1-cyanoethoxy)-2-oxoethyl] ester IUPAC Name: [1-[(3-chlorosulfonylphenyl)diazenyl]-2-(1-cyanoethoxy)-2-oxoethyl] benzoate Traditional Name: benzoic acid [1-(3-chlorosulfonylphenyl)azo-2-(1-cyanoethoxy)-2-keto-ethyl] ester Formula: C18H14ClN3O6S MolecularWeight: 435.83826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C(N=NC1=CC(=CC=C1)S(=O)(=O)Cl)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C#N)OC(=O)C(N=NC1=CC(=CC=C1)S(=O)(=O)Cl)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H14ClN3O6S/c1-12(11-20)27-18(24)16(28-17(23)13-6-3-2-4-7-13)22-21-14-8-5-9-15(10-14)29(19,25)26/h2-10,12,16H,1H3