3-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid

Systemtic Name: 3-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid Openeye Name: 3-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid CAS Name: 3-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]propanoic acid IUPAC Name: 3-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylpropanoic acid Traditional Name: 3-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]thio]propionic acid Formula: C25H44O5S MolecularWeight: 456.67886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCCC(=O)O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCCC(=O)O)O)CC(=O)O

InChI

InChI=1S/C25H44O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(19-23(28)29)24(30)25(20)31-18-17-22(26)27/h14,21,24-25,30H,2-13,15-19H2,1H3,(H,26,27)(H,28,29)/b20-14+