(E)-5-(2-carboxyethylsulfanyl)-4-oxidanyl-henicos-6-enoic acid

Systemtic Name: (E)-5-(2-carboxyethylsulfanyl)-4-oxidanyl-henicos-6-enoic acid Openeye Name: (E)-5-(2-carboxyethylsulfanyl)-4-hydroxy-henicos-6-enoic acid CAS Name: (E)-5-(2-carboxyethylthio)-4-hydroxy-6-heneicosenoic acid IUPAC Name: (E)-5-(2-carboxyethylsulfanyl)-4-hydroxyhenicos-6-enoic acid Traditional Name: (E)-5-(2-carboxyethylthio)-4-hydroxy-heneicos-6-enoic acid Formula: C24H44O5S MolecularWeight: 444.66816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C24H44O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(30-20-19-24(28)29)21(25)17-18-23(26)27/h15-16,21-22,25H,2-14,17-20H2,1H3,(H,26,27)(H,28,29)/b16-15+