2-[2-[7-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoyloxy]ethylsulfanyl]ethyl octadecanoate

Systemtic Name: 2-[2-[7-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptanoyloxy]ethylsulfanyl]ethyl octadecanoate Openeye Name: 2-[2-[7-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)heptanoyloxy]ethylsulfanyl]ethyl octadecanoate CAS Name: octadecanoic acid 2-[2-[7-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1-oxoheptoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-[7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoyloxy]ethylsulfanyl]ethyl octadecanoate Traditional Name: stearic acid 2-[2-[7-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)heptanoyloxy]ethylthio]ethyl ester Formula: C40H70O5S MolecularWeight: 663.0458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C

InChI

InChI=1S/C40H70O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-37(41)44-28-30-46-31-29-45-38(42)27-24-21-20-22-25-35-32-34(2)39(43)36(33-35)40(3,4)5/h32-33,43H,6-31H2,1-5H3