3-(2-hexadecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Systemtic Name: 3-(2-hexadecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-(2-hexadecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid CAS Name: 3-[2-(hexadecylthio)ethoxy-oxomethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid IUPAC Name: 3-(2-hexadecylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-[2-(cetylthio)ethoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-32-20-18-30-26(29)24-22-17-16-21(31-22)23(24)25(27)28/h21-24H,2-20H2,1H3,(H,27,28)