octadecyl 3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate

Systemtic Name: octadecyl 3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-sulfanyl-propanoate Openeye Name: octadecyl 3-(4-hydroxy-3,5-dimethyl-phenyl)-2-sulfanyl-propanoate CAS Name: 3-(4-hydroxy-3,5-dimethylphenyl)-2-mercaptopropanoic acid octadecyl ester IUPAC Name: octadecyl 3-(4-hydroxy-3,5-dimethylphenyl)-2-sulfanylpropanoate Traditional Name: 3-(4-hydroxy-3,5-dimethyl-phenyl)-2-mercapto-propionic acid stearyl ester Formula: C29H50O3S MolecularWeight: 478.7705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C)O)C)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C)O)C)S

InChI

InChI=1S/C29H50O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32-29(31)27(33)23-26-21-24(2)28(30)25(3)22-26/h21-22,27,30,33H,4-20,23H2,1-3H3