(E)-5-(2-carboxyethylsulfanyl)nonadec-6-enoic acid

Systemtic Name: (E)-5-(2-carboxyethylsulfanyl)nonadec-6-enoic acid Openeye Name: (E)-5-(2-carboxyethylsulfanyl)nonadec-6-enoic acid CAS Name: (E)-5-(2-carboxyethylthio)-6-nonadecenoic acid IUPAC Name: (E)-5-(2-carboxyethylsulfanyl)nonadec-6-enoic acid Traditional Name: (E)-5-(2-carboxyethylthio)nonadec-6-enoic acid Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCCC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C22H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20(16-14-17-21(23)24)27-19-18-22(25)26/h13,15,20H,2-12,14,16-19H2,1H3,(H,23,24)(H,25,26)/b15-13+