4-[[5-dodecoxy-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]methylsulfinyl]benzoic acid

Systemtic Name: 4-[[5-dodecoxy-6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]pyridin-2-yl]methylsulfinyl]benzoic acid Openeye Name: 4-[[5-dodecoxy-6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-pyridyl]methylsulfinyl]benzoic acid CAS Name: 4-[[5-dodecoxy-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-pyridinyl]methylsulfinyl]benzoic acid IUPAC Name: 4-[[5-dodecoxy-6-[(E)-3-hydroxy-3-oxoprop-1-enyl]pyridin-2-yl]methylsulfinyl]benzoic acid Traditional Name: 4-[[6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-lauryloxy-2-pyridyl]methylsulfinyl]benzoic acid Formula: C28H37NO6S MolecularWeight: 515.66148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(N=C(C=C1)CS(=O)C2=CC=C(C=C2)C(=O)O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(N=C(C=C1)CS(=O)C2=CC=C(C=C2)C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C28H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-20-35-26-18-14-23(29-25(26)17-19-27(30)31)21-36(34)24-15-12-22(13-16-24)28(32)33/h12-19H,2-11,20-21H2,1H3,(H,30,31)(H,32,33)/b19-17+