[(Z)-[[3-[(Z)-N-butylperoxy-C-isocyano-carbonimidoyl]phenyl]-cyano-methylidene]amino] butane-1-sulfonate

Systemtic Name: [(Z)-[[3-[(Z)-N-butylperoxy-C-isocyano-carbonimidoyl]phenyl]-cyano-methylidene]amino] butane-1-sulfonate Openeye Name: [(Z)-[[3-[(Z)-N-butylperoxy-C-isocyano-carbonimidoyl]phenyl]-cyano-methylene]amino] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [(Z)-[[3-[(Z)-N-butylperoxy-C-isocyanocarbonimidoyl]phenyl]-cyanomethylidene]amino] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [(Z)-[[3-[(Z)-N-butylperoxy-C-isocyano-carbonimidoyl]phenyl]-cyano-methylene]amino] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOON=C(C1=CC=CC(=C1)C(=NOS(=O)(=O)CCCC)C#N)[N+]#[C-]

Isomeric SMILES

CCCCOO/N=C(/C1=CC=CC(=C1)/C(=N/OS(=O)(=O)CCCC)/C#N)\[N+]#[C-]

InChI

InChI=1S/C18H22N4O5S/c1-4-6-11-25-26-22-18(20-3)16-10-8-9-15(13-16)17(14-19)21-27-28(23,24)12-7-5-2/h8-10,13H,4-7,11-12H2,1-2H3/b21-17+,22-18-