[3-(4-chloranyldodecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)azanium

Systemtic Name: [3-(4-chloranyldodecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)azanium Openeye Name: [3-(4-chlorododecylsulfonyloxy)phenyl]-dicyano-[1-(cyanomethyl)vinyl]ammonium CAS Name: [3-(4-chlorododecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)ammonium IUPAC Name: [3-(4-chlorododecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)azanium Traditional Name: [3-(4-chlorododecylsulfonyloxy)phenyl]-dicyano-[1-(cyanomethyl)vinyl]ammonium Formula: C24H32ClN4O3S+ MolecularWeight: 492.05388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCS(=O)(=O)OC1=CC=CC(=C1)[N+](C#N)(C#N)C(=C)CC#N)Cl

Isomeric SMILES

CCCCCCCCC(CCCS(=O)(=O)OC1=CC=CC(=C1)[N+](C#N)(C#N)C(=C)CC#N)Cl

InChI

InChI=1S/C24H32ClN4O3S/c1-3-4-5-6-7-8-11-22(25)12-10-17-33(30,31)32-24-14-9-13-23(18-24)29(19-27,20-28)21(2)15-16-26/h9,13-14,18,22H,2-8,10-12,15,17H2,1H3/q+1