octadecyl 3-(4-octadecoxy-4-oxidanylidene-butan-2-yl)sulfanylpentanoate

Systemtic Name: octadecyl 3-(4-octadecoxy-4-oxidanylidene-butan-2-yl)sulfanylpentanoate Openeye Name: octadecyl 3-(1-methyl-3-octadecoxy-3-oxo-propyl)sulfanylpentanoate CAS Name: 3-[(4-octadecoxy-4-oxobutan-2-yl)thio]pentanoic acid octadecyl ester IUPAC Name: octadecyl 3-(4-octadecoxy-4-oxobutan-2-yl)sulfanylpentanoate Traditional Name: 3-[(3-keto-1-methyl-3-stearyloxy-propyl)thio]valeric acid stearyl ester Formula: C45H88O4S MolecularWeight: 725.24282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C)SC(CC)CC(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C)SC(CC)CC(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H88O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-48-44(46)40-42(4)50-43(7-3)41-45(47)49-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h42-43H,5-41H2,1-4H3