octadecyl 3-[(E)-3-(2-acetamidoethylsulfanyl)hex-4-enoyl]sulfanylpropanoate

Systemtic Name: octadecyl 3-[(E)-3-(2-acetamidoethylsulfanyl)hex-4-enoyl]sulfanylpropanoate Openeye Name: octadecyl 3-[(E)-3-(2-acetamidoethylsulfanyl)hex-4-enoyl]sulfanylpropanoate CAS Name: 3-[[(E)-3-(2-acetamidoethylthio)-1-oxohex-4-enyl]thio]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[(E)-3-(2-acetamidoethylsulfanyl)hex-4-enoyl]sulfanylpropanoate Traditional Name: 3-[[(E)-3-(2-acetamidoethylthio)hex-4-enoyl]thio]propionic acid stearyl ester Formula: C31H57NO4S2 MolecularWeight: 571.91858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)CC(C=CC)SCCNC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)CC(/C=C/C)SCCNC(=O)C

InChI

InChI=1S/C31H57NO4S2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36-30(34)22-25-38-31(35)27-29(21-5-2)37-26-23-32-28(3)33/h5,21,29H,4,6-20,22-27H2,1-3H3,(H,32,33)/b21-5+