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

Systemtic Name: 2-(2-carboxyethylsulfanyl)-1-[(E)-dec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-(2-carboxyethylsulfanyl)-1-[(E)-dec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 2-(2-carboxyethylthio)-1-[(E)-dec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2-carboxyethylsulfanyl)-1-[(E)-dec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid Traditional Name: 2-(2-carboxyethylthio)-1-[(E)-dec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid Formula: C20H34O5S MolecularWeight: 386.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCC1(CCC(CC1SCCC(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCC/C=C/CC1(CCC(CC1SCCC(=O)O)O)C(=O)O

InChI

InChI=1S/C20H34O5S/c1-2-3-4-5-6-7-8-9-12-20(19(24)25)13-10-16(21)15-17(20)26-14-11-18(22)23/h8-9,16-17,21H,2-7,10-15H2,1H3,(H,22,23)(H,24,25)/b9-8+