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3-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid

3-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid

Systemtic Name:3-[(E)-16-(4-oxidanylcyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid
Openeye Name:3-[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid
CAS Name:3-[[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]thio]propanoic acid
IUPAC Name:3-[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]sulfanylpropanoic acid
Traditional Name:3-[[(E)-16-(4-hydroxycyclohexyl)hexadec-14-enyl]thio]propionic acid
Formula: C25H46O3S
MolecularWeight: 426.69594
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC=CCCCCCCCCCCCCCSCCC(=O)O)O


Isomeric SMILES

C1CC(CCC1C/C=C/CCCCCCCCCCCCCSCCC(=O)O)O


InChI

InChI=1S/C25H46O3S/c26-24-18-16-23(17-19-24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-29-22-20-25(27)28/h11,13,23-24,26H,1-10,12,14-22H2,(H,27,28)/b13-11+


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