3-(2-carboxyethylsulfanyl)-3-[2-[8-(furan-2-yl)octyl]phenyl]-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[2-[8-(furan-2-yl)octyl]phenyl]-2-oxidanyl-propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-[2-[8-(2-furyl)octyl]phenyl]-2-hydroxy-propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-[2-[8-(2-furanyl)octyl]phenyl]-2-hydroxypropanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-[2-[8-(furan-2-yl)octyl]phenyl]-2-hydroxypropanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-[2-[8-(2-furyl)octyl]phenyl]-2-hydroxy-propionic acid Formula: C24H32O6S MolecularWeight: 448.57228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCCCCC2=CC=CO2)C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCCCCC2=CC=CO2)C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C24H32O6S/c25-21(26)15-17-31-23(22(27)24(28)29)20-14-8-7-11-18(20)10-5-3-1-2-4-6-12-19-13-9-16-30-19/h7-9,11,13-14,16,22-23,27H,1-6,10,12,15,17H2,(H,25,26)(H,28,29)