(NE)-N-[(1-dodecylpyridin-1-ium-3-yl)methylidene]hydroxylamine; 2-oxidanyl-5-sulfo-benzoate

Systemtic Name: (NE)-N-[(1-dodecylpyridin-1-ium-3-yl)methylidene]hydroxylamine; 2-oxidanyl-5-sulfo-benzoate Openeye Name: (3E)-1-dodecylpyridin-1-ium-3-carbaldehyde oxime; 2-hydroxy-5-sulfo-benzoate CAS Name: (3E)-1-dodecyl-3-pyridin-1-iumcarboxaldehyde oxime; 2-hydroxy-5-sulfobenzoate IUPAC Name: (NE)-N-[(1-dodecylpyridin-1-ium-3-yl)methylidene]hydroxylamine; 2-hydroxy-5-sulfobenzoate Traditional Name: 2-hydroxy-5-sulfo-benzoate; (3E)-1-laurylpyridin-1-ium-3-carbaldehyde oxime Formula: C25H36N2O7S MolecularWeight: 508.62754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC(=C1)C=NO.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC(=C1)/C=N/O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O

InChI

InChI=1S/C18H30N2O.C7H6O6S/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-18(17-20)16-19-21;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h12-13,15-17H,2-11,14H2,1H3;1-3,8H,(H,9,10)(H,11,12,13)/b19-16+;