3-[[6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid

Systemtic Name: 3-[[6-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid Openeye Name: 3-[[6-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-5-(8-phenyloctoxy)-2-pyridyl]methylsulfanylmethyl]benzoic acid CAS Name: 3-[[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(8-phenyloctoxy)-2-pyridinyl]methylthio]methyl]benzoic acid IUPAC Name: 3-[[6-[(E)-3-hydroxy-3-oxoprop-1-enyl]-5-(8-phenyloctoxy)pyridin-2-yl]methylsulfanylmethyl]benzoic acid Traditional Name: 3-[[[6-[(E)-3-hydroxy-3-keto-prop-1-enyl]-5-(8-phenyloctoxy)-2-pyridyl]methylthio]methyl]benzoic acid Formula: C31H35NO5S MolecularWeight: 533.6783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)O)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSCC3=CC=CC(=C3)C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C31H35NO5S/c33-30(34)19-17-28-29(37-20-9-4-2-1-3-6-11-24-12-7-5-8-13-24)18-16-27(32-28)23-38-22-25-14-10-15-26(21-25)31(35)36/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22-23H2,(H,33,34)(H,35,36)/b19-17+