3-[2-[5-decoxy-6-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]-1-oxidanyl-ethyl]benzoate

Systemtic Name: 3-[2-[5-decoxy-6-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]-1-oxidanyl-ethyl]benzoate Openeye Name: 3-[2-[5-decoxy-6-[(E)-3-oxido-3-oxo-prop-1-enyl]-2-pyridyl]-1-hydroxy-ethyl]benzoate CAS Name: 3-[2-[5-decoxy-6-[(E)-3-oxido-3-oxoprop-1-enyl]-2-pyridinyl]-1-hydroxyethyl]benzoate IUPAC Name: 3-[2-[5-decoxy-6-[(E)-3-oxido-3-oxoprop-1-enyl]pyridin-2-yl]-1-hydroxyethyl]benzoate Traditional Name: 3-[2-[5-decoxy-6-[(E)-3-keto-3-oxido-prop-1-enyl]-2-pyridyl]-1-hydroxy-ethyl]benzoate Formula: C27H33NO6-2 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)[O-])O)C=CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)[O-])O)/C=C/C(=O)[O-]

InChI

InChI=1S/C27H35NO6/c1-2-3-4-5-6-7-8-9-17-34-25-15-13-22(28-23(25)14-16-26(30)31)19-24(29)20-11-10-12-21(18-20)27(32)33/h10-16,18,24,29H,2-9,17,19H2,1H3,(H,30,31)(H,32,33)/p-2/b16-14+