O-[3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-pentadecanethioyloxy-pentan-2-yl] pentadecanethioate

Systemtic Name: O-[3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-pentadecanethioyloxy-pentan-2-yl] pentadecanethioate Openeye Name: O-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1-methyl-3-pentadecanethioyloxy-butyl] pentadecanethioate CAS Name: pentadecanethioic acid O-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-(1-sulfanylidenepentadecoxy)pentan-2-yl] ester IUPAC Name: O-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-pentadecanethioyloxypentan-2-yl] pentadecanethioate Traditional Name: pentadecanethioic acid O-[2-(3,5-ditert-butyl-4-hydroxy-benzyl)-1-methyl-3-pentadecanethioyloxy-butyl] ester Formula: C50H90O3S2 MolecularWeight: 803.3778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)OC(C)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(C)OC(=S)CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)OC(C)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(C)OC(=S)CCCCCCCCCCCCCC

InChI

InChI=1S/C50H90O3S2/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-46(54)52-40(3)43(37-42-38-44(49(5,6)7)48(51)45(39-42)50(8,9)10)41(4)53-47(55)36-34-32-30-28-26-24-22-20-18-16-14-12-2/h38-41,43,51H,11-37H2,1-10H3