4-[[2-oxidanyl-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]pyrimidine-2-carboxylic acid

Systemtic Name: 4-[[2-oxidanyl-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]pyrimidine-2-carboxylic acid Openeye Name: 4-[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]pyrimidine-2-carboxylic acid CAS Name: 4-[[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]methyl]-2-pyrimidinecarboxylic acid IUPAC Name: 4-[[2-hydroxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylmethyl]pyrimidine-2-carboxylic acid Traditional Name: 4-[[[2-hydroxy-2-keto-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]methyl]pyrimidine-2-carboxylic acid Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(=O)O)SCC3=NC(=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(=O)O)SCC3=NC(=NC=C3)C(=O)O

InChI

InChI=1S/C28H32N2O4S/c31-27(32)25(35-20-23-18-19-29-26(30-23)28(33)34)24-17-11-10-16-22(24)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21/h5,7-8,10-11,13-14,16-19,25H,1-4,6,9,12,15,20H2,(H,31,32)(H,33,34)