(1-dodecylsulfanyl-3-hexadecoxy-propan-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (1-dodecylsulfanyl-3-hexadecoxy-propan-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: [1-(dodecylsulfanylmethyl)-2-hexadecoxy-ethyl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid [1-(dodecylthio)-3-hexadecoxypropan-2-yl] ester IUPAC Name: (1-dodecylsulfanyl-3-hexadecoxypropan-2-yl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid [1-(cetyloxymethyl)-2-(laurylthio)ethyl] ester Formula: C45H82O4S MolecularWeight: 719.19518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C

InChI

InChI=1S/C45H82O4S/c1-7-9-11-13-15-17-19-20-21-22-23-25-27-29-33-48-37-41(38-50-34-30-28-26-24-18-16-14-12-10-8-2)49-43(46)32-31-40-35-39(3)44(47)42(36-40)45(4,5)6/h35-36,41,47H,7-34,37-38H2,1-6H3