3-hexadecylsulfanyldodecyl 2-oxidanylethanoate

Systemtic Name: 3-hexadecylsulfanyldodecyl 2-oxidanylethanoate Openeye Name: 3-hexadecylsulfanyldodecyl 2-hydroxyacetate CAS Name: 2-hydroxyacetic acid 3-(hexadecylthio)dodecyl ester IUPAC Name: 3-hexadecylsulfanyldodecyl 2-hydroxyacetate Traditional Name: 2-hydroxyacetic acid 3-(cetylthio)dodecyl ester Formula: C30H60O3S MolecularWeight: 500.8606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(CCCCCCCCC)CCOC(=O)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(CCCCCCCCC)CCOC(=O)CO

InChI

InChI=1S/C30H60O3S/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-27-34-29(25-26-33-30(32)28-31)24-22-20-18-10-8-6-4-2/h29,31H,3-28H2,1-2H3