O-[3,3-bis[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl]-4-nonadecanethioyloxy-henicosan-2-yl] nonadecanethioate

Systemtic Name: O-[3,3-bis[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl]-4-nonadecanethioyloxy-henicosan-2-yl] nonadecanethioate Openeye Name: O-[2,2-bis[(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)methyl]-1-methyl-3-nonadecanethioyloxy-icosyl] nonadecanethioate CAS Name: nonadecanethioic acid O-[3,3-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-4-(1-sulfanylidenenonadecoxy)heneicosan-2-yl] ester IUPAC Name: O-[3,3-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-4-nonadecanethioyloxyhenicosan-2-yl] nonadecanethioate Traditional Name: nonadecanethioic acid O-[2,2-bis(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)-1-methyl-3-nonadecanethioyloxy-eicosyl] ester Formula: C85H152O4S2 MolecularWeight: 1302.24398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=S)OC(C)C(CC1=C(C(=C(C=C1C)C(C)(C)C)O)C)(CC2=C(C(=C(C=C2C)C(C)(C)C)O)C)C(CCCCCCCCCCCCCCCCC)OC(=S)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=S)OC(C)C(CC1=C(C(=C(C=C1C)C(C)(C)C)O)C)(CC2=C(C(=C(C=C2C)C(C)(C)C)O)C)C(CCCCCCCCCCCCCCCCC)OC(=S)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C85H152O4S2/c1-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-79(90)88-73(8)85(67-74-69(4)65-76(83(9,10)11)81(86)71(74)6,68-75-70(5)66-77(84(12,13)14)82(87)72(75)7)78(62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-3)89-80(91)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-2/h65-66,73,78,86-87H,15-64,67-68H2,1-14H3