3-[[5-dodecoxy-1-oxidanidyl-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyridin-1-ium-2-yl]methoxy]benzoic acid

Systemtic Name: 3-[[5-dodecoxy-1-oxidanidyl-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyridin-1-ium-2-yl]methoxy]benzoic acid Openeye Name: 3-[[5-dodecoxy-6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-1-oxido-pyridin-1-ium-2-yl]methoxy]benzoic acid CAS Name: 3-[[5-dodecoxy-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1-oxido-2-pyridin-1-iumyl]methoxy]benzoic acid IUPAC Name: 3-[[5-dodecoxy-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-1-oxidopyridin-1-ium-2-yl]methoxy]benzoic acid Traditional Name: 3-[[6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-lauryloxy-1-oxido-pyridin-1-ium-2-yl]methoxy]benzoic acid Formula: C28H37NO7 MolecularWeight: 499.59588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C([N+](=C(C=C1)COC2=CC=CC(=C2)C(=O)O)[O-])C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C([N+](=C(C=C1)COC2=CC=CC(=C2)C(=O)O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C28H37NO7/c1-2-3-4-5-6-7-8-9-10-11-19-35-26-17-15-23(29(34)25(26)16-18-27(30)31)21-36-24-14-12-13-22(20-24)28(32)33/h12-18,20H,2-11,19,21H2,1H3,(H,30,31)(H,32,33)/b18-16+