2-(carboxymethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 2-(carboxymethylthio)-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 2-(carboxymethylthio)-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC1(CCC(CC1SCC(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCC(=O)O)O)C(=O)O

InChI

InChI=1S/C25H44O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-25(24(29)30)18-16-21(26)19-22(25)31-20-23(27)28/h14-15,21-22,26H,2-13,16-20H2,1H3,(H,27,28)(H,29,30)/b15-14+