6-phenylhexyl 3-[3-[2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-methyl-phenoxy]-3-oxidanylidene-propyl]sulfanylpropanoate

Systemtic Name: 6-phenylhexyl 3-[3-[2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-methyl-phenoxy]-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: 6-phenylhexyl 3-[3-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-methyl-phenoxy]-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenoxy]-3-oxopropyl]thio]propanoic acid 6-phenylhexyl ester IUPAC Name: 6-phenylhexyl 3-[3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenoxy]-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-[2-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-methyl-phenoxy]-3-keto-propyl]thio]propionic acid 6-phenylhexyl ester Formula: C40H54O5S MolecularWeight: 646.91876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCSCCC(=O)OCCCCCCC2=CC=CC=C2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCSCCC(=O)OCCCCCCC2=CC=CC=C2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C40H54O5S/c1-29-18-19-35(32(25-29)26-31-27-33(39(2,3)4)38(43)34(28-31)40(5,6)7)45-37(42)21-24-46-23-20-36(41)44-22-14-9-8-11-15-30-16-12-10-13-17-30/h10,12-13,16-19,25,27-28,43H,8-9,11,14-15,20-24,26H2,1-7H3