[3-(3-icosanoyloxy-2,5,6-trimethyl-phenyl)sulfanyl-2,4,5-trimethyl-phenyl] icosanoate

Systemtic Name: [3-(3-icosanoyloxy-2,5,6-trimethyl-phenyl)sulfanyl-2,4,5-trimethyl-phenyl] icosanoate Openeye Name: [3-(3-icosanoyloxy-2,5,6-trimethyl-phenyl)sulfanyl-2,4,5-trimethyl-phenyl] icosanoate CAS Name: eicosanoic acid [2,4,5-trimethyl-3-[[2,3,6-trimethyl-5-(1-oxoeicosoxy)phenyl]thio]phenyl] ester IUPAC Name: [3-(3-icosanoyloxy-2,5,6-trimethylphenyl)sulfanyl-2,4,5-trimethylphenyl] icosanoate Traditional Name: arachidic acid [3-[(3-eicosanoyloxy-2,5,6-trimethyl-phenyl)thio]-2,4,5-trimethyl-phenyl] ester Formula: C58H98O4S MolecularWeight: 891.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1)C)C)SC2=C(C(=CC(=C2C)OC(=O)CCCCCCCCCCCCCCCCCCC)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1)C)C)SC2=C(C(=CC(=C2C)OC(=O)CCCCCCCCCCCCCCCCCCC)C)C)C

InChI

InChI=1S/C58H98O4S/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-55(59)61-53-45-47(3)49(5)57(51(53)7)63-58-50(6)48(4)46-54(52(58)8)62-56(60)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h45-46H,9-44H2,1-8H3