3-[2-carboxyethylsulfanyl-[2-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[2-[5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentoxy]phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[[2-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]phenyl]-(2-carboxyethylsulfanyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[[2-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]phenyl]-(2-carboxyethylthio)methyl]thio]propanoic acid IUPAC Name: 3-[[2-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]phenyl]-(2-carboxyethylsulfanyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[[2-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentoxy]phenyl]-(2-carboxyethylthio)methyl]thio]propionic acid Formula: C29H38O8S2 MolecularWeight: 578.73722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC=CC=C2C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C29H38O8S2/c1-3-9-22-25(13-12-21(20(2)30)28(22)35)37-17-8-4-7-16-36-24-11-6-5-10-23(24)29(38-18-14-26(31)32)39-19-15-27(33)34/h5-6,10-13,29,35H,3-4,7-9,14-19H2,1-2H3,(H,31,32)(H,33,34)