3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[7-(5-phenylpentyl)naphthalen-1-yl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[7-(5-phenylpentyl)naphthalen-1-yl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[7-(5-phenylpentyl)-1-naphthyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[7-(5-phenylpentyl)-1-naphthalenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[7-(5-phenylpentyl)naphthalen-1-yl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[7-(5-phenylpentyl)-1-naphthyl]propionic acid Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC2=CC3=C(C=CC=C3C(C(C(=O)O)O)SCCC(=O)O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC2=CC3=C(C=CC=C3C(C(C(=O)O)O)SCCC(=O)O)C=C2

InChI

InChI=1S/C27H30O5S/c28-24(29)16-17-33-26(25(30)27(31)32)22-13-7-12-21-15-14-20(18-23(21)22)11-6-2-5-10-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,25-26,30H,2,5-6,10-11,16-17H2,(H,28,29)(H,31,32)