octadecyl 3-methyl-3-(3-octadecoxy-3-oxidanylidene-propyl)sulfanyl-pentanoate

Systemtic Name: octadecyl 3-methyl-3-(3-octadecoxy-3-oxidanylidene-propyl)sulfanyl-pentanoate Openeye Name: octadecyl 3-methyl-3-(3-octadecoxy-3-oxo-propyl)sulfanyl-pentanoate CAS Name: 3-methyl-3-[(3-octadecoxy-3-oxopropyl)thio]pentanoic acid octadecyl ester IUPAC Name: octadecyl 3-methyl-3-(3-octadecoxy-3-oxopropyl)sulfanylpentanoate Traditional Name: 3-[(3-keto-3-stearyloxy-propyl)thio]-3-methyl-valeric acid stearyl ester Formula: C45H88O4S MolecularWeight: 725.24282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H88O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-43(46)38-41-50-45(4,7-3)42-44(47)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h5-42H2,1-4H3