(E)-6-(2-carboxyethylsulfanyl)-8-naphthalen-1-yl-5-oxidanyl-oct-7-enoic acid

Systemtic Name: (E)-6-(2-carboxyethylsulfanyl)-8-naphthalen-1-yl-5-oxidanyl-oct-7-enoic acid Openeye Name: (E)-6-(2-carboxyethylsulfanyl)-5-hydroxy-8-(1-naphthyl)oct-7-enoic acid CAS Name: (E)-6-(2-carboxyethylthio)-5-hydroxy-8-(1-naphthalenyl)-7-octenoic acid IUPAC Name: (E)-6-(2-carboxyethylsulfanyl)-5-hydroxy-8-naphthalen-1-yloct-7-enoic acid Traditional Name: (E)-6-(2-carboxyethylthio)-5-hydroxy-8-(1-naphthyl)oct-7-enoic acid Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=CC(C(CCCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C/C(C(CCCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C21H24O5S/c22-18(9-4-10-20(23)24)19(27-14-13-21(25)26)12-11-16-7-3-6-15-5-1-2-8-17(15)16/h1-3,5-8,11-12,18-19,22H,4,9-10,13-14H2,(H,23,24)(H,25,26)/b12-11+