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

Systemtic Name: 2-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid Openeye Name: 2-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanylpropanoic acid CAS Name: 2-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]propanoic acid IUPAC Name: 2-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylpropanoic acid Traditional Name: 2-[[(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(C1SC(C)C(=O)O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SC(C)C(=O)O)O)CC(=O)O

InChI

InChI=1S/C25H44O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-17-21(18-22(26)27)23(28)24(20)31-19(2)25(29)30/h15,19,21,23-24,28H,3-14,16-18H2,1-2H3,(H,26,27)(H,29,30)/b20-15+