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

Systemtic Name: 1-[(E)-1-(2-carboxyethylsulfanyl)hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[(E)-1-(2-carboxyethylsulfanyl)hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 1-[(E)-1-(2-carboxyethylthio)hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(E)-1-(2-carboxyethylsulfanyl)hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 1-[(E)-1-(2-carboxyethylthio)hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C1(CCC(CC1)O)C(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C1(CCC(CC1)O)C(=O)O)SCCC(=O)O

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32-21-18-24(28)29)26(25(30)31)19-16-22(27)17-20-26/h14-15,22-23,27H,2-13,16-21H2,1H3,(H,28,29)(H,30,31)/b15-14+