(E)-5-(carboxymethylsulfanyl)-4-oxidanyl-henicos-6-enoic acid

Systemtic Name: (E)-5-(carboxymethylsulfanyl)-4-oxidanyl-henicos-6-enoic acid Openeye Name: (E)-5-(carboxymethylsulfanyl)-4-hydroxy-henicos-6-enoic acid CAS Name: (E)-5-(carboxymethylthio)-4-hydroxy-6-heneicosenoic acid IUPAC Name: (E)-5-(carboxymethylsulfanyl)-4-hydroxyhenicos-6-enoic acid Traditional Name: (E)-5-(carboxymethylthio)-4-hydroxy-heneicos-6-enoic acid Formula: C23H42O5S MolecularWeight: 430.64158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29-19-23(27)28)20(24)17-18-22(25)26/h15-16,20-21,24H,2-14,17-19H2,1H3,(H,25,26)(H,27,28)/b16-15+