tetradecan-2-yl 4-oxidanyl-3-(2-oxidanyl-5-tetradecan-2-yloxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: tetradecan-2-yl 4-oxidanyl-3-(2-oxidanyl-5-tetradecan-2-yloxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: 1-methyltridecyl 4-hydroxy-3-[2-hydroxy-5-(1-methyltridecoxycarbonyl)phenyl]sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(tetradecan-2-yloxy)methyl]phenyl]thio]benzoic acid tetradecan-2-yl ester IUPAC Name: tetradecan-2-yl 4-hydroxy-3-(2-hydroxy-5-tetradecan-2-yloxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[[2-hydroxy-5-(1-methyltridecoxycarbonyl)phenyl]thio]benzoic acid 1-methyltridecyl ester Formula: C42H66O6S MolecularWeight: 699.03484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)OC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC(C)CCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC(C)OC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC(C)CCCCCCCCCCCC)O

InChI

InChI=1S/C42H66O6S/c1-5-7-9-11-13-15-17-19-21-23-25-33(3)47-41(45)35-27-29-37(43)39(31-35)49-40-32-36(28-30-38(40)44)42(46)48-34(4)26-24-22-20-18-16-14-12-10-8-6-2/h27-34,43-44H,5-26H2,1-4H3