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

Systemtic Name: [3-(4-chloranylhexadecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)azanium Openeye Name: [3-(4-chlorohexadecylsulfonyloxy)phenyl]-dicyano-[1-(cyanomethyl)vinyl]ammonium CAS Name: [3-(4-chlorohexadecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)ammonium IUPAC Name: [3-(4-chlorohexadecylsulfonyloxy)phenyl]-dicyano-(3-cyanoprop-1-en-2-yl)azanium Traditional Name: [3-(4-chlorohexadecylsulfonyloxy)phenyl]-dicyano-[1-(cyanomethyl)vinyl]ammonium Formula: C28H40ClN4O3S+ MolecularWeight: 548.1602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40ClN4O3S/c1-3-4-5-6-7-8-9-10-11-12-15-26(29)16-14-21-37(34,35)36-28-18-13-17-27(22-28)33(23-31,24-32)25(2)19-20-30/h13,17-18,22,26H,2-12,14-16,19,21H2,1H3/q+1