O-[2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-heptadecanethioyloxy-butyl] heptadecanethioate

Systemtic Name: O-[2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-heptadecanethioyloxy-butyl] heptadecanethioate Openeye Name: O-[2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-heptadecanethioyloxy-butyl] heptadecanethioate CAS Name: heptadecanethioic acid O-[2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(1-sulfanylideneheptadecoxy)butyl] ester IUPAC Name: O-[2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-heptadecanethioyloxybutyl] heptadecanethioate Traditional Name: heptadecanethioic acid O-[2,2-bis(3,5-ditert-butyl-4-hydroxy-benzyl)-3-heptadecanethioyloxy-butyl] ester Formula: C68H118O4S2 MolecularWeight: 1063.79212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=S)OCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)OC(=S)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=S)OCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)OC(=S)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C68H118O4S2/c1-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-60(73)71-52-68(50-54-46-56(64(4,5)6)62(69)57(47-54)65(7,8)9,51-55-48-58(66(10,11)12)63(70)59(49-55)67(13,14)15)53(3)72-61(74)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-2/h46-49,53,69-70H,16-45,50-52H2,1-15H3