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

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[7-(5-phenylpentyl)naphthalen-1-yl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-[7-(5-phenylpentyl)-1-naphthyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-[7-(5-phenylpentyl)-1-naphthalenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-[7-(5-phenylpentyl)naphthalen-1-yl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-[7-(5-phenylpentyl)-1-naphthyl]propionic acid Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O4S/c28-26(29)16-17-32-25(19-27(30)31)23-13-7-12-22-15-14-21(18-24(22)23)11-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,12-15,18,25H,2,5-6,10-11,16-17,19H2,(H,28,29)(H,30,31)