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

Systemtic Name: 3-[(6E)-3-(carboxymethyl)-6-nonylidene-2-oxidanyl-cyclohexyl]sulfanylpropanoic acid Openeye Name: 3-[(6E)-3-(carboxymethyl)-2-hydroxy-6-nonylidene-cyclohexyl]sulfanylpropanoic acid CAS Name: 3-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-nonylidenecyclohexyl]thio]propanoic acid IUPAC Name: 3-[(6E)-3-(carboxymethyl)-2-hydroxy-6-nonylidenecyclohexyl]sulfanylpropanoic acid Traditional Name: 3-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-nonylidene-cyclohexyl]thio]propionic acid Formula: C20H34O5S MolecularWeight: 386.54596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O5S/c1-2-3-4-5-6-7-8-9-15-10-11-16(14-18(23)24)19(25)20(15)26-13-12-17(21)22/h9,16,19-20,25H,2-8,10-14H2,1H3,(H,21,22)(H,23,24)/b15-9+