2-[[5-dodecoxy-6-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]methylsulfinyl]benzoate

Systemtic Name: 2-[[5-dodecoxy-6-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]methylsulfinyl]benzoate Openeye Name: 2-[[5-dodecoxy-6-[(E)-3-oxido-3-oxo-prop-1-enyl]-2-pyridyl]methylsulfinyl]benzoate CAS Name: 2-[[5-dodecoxy-6-[(E)-3-oxido-3-oxoprop-1-enyl]-2-pyridinyl]methylsulfinyl]benzoate IUPAC Name: 2-[[5-dodecoxy-6-[(E)-3-oxido-3-oxoprop-1-enyl]pyridin-2-yl]methylsulfinyl]benzoate Traditional Name: 2-[[6-[(E)-3-keto-3-oxido-prop-1-enyl]-5-lauryloxy-2-pyridyl]methylsulfinyl]benzoate Formula: C28H35NO6S-2 MolecularWeight: 513.6456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(N=C(C=C1)CS(=O)C2=CC=CC=C2C(=O)[O-])C=CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(N=C(C=C1)CS(=O)C2=CC=CC=C2C(=O)[O-])/C=C/C(=O)[O-]

InChI

InChI=1S/C28H37NO6S/c1-2-3-4-5-6-7-8-9-10-13-20-35-25-18-16-22(29-24(25)17-19-27(30)31)21-36(34)26-15-12-11-14-23(26)28(32)33/h11-12,14-19H,2-10,13,20-21H2,1H3,(H,30,31)(H,32,33)/p-2/b19-17+