tetradecyl 4-oxidanyl-3-(2-oxidanyl-5-tetradecoxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: tetradecyl 4-oxidanyl-3-(2-oxidanyl-5-tetradecoxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: tetradecyl 4-hydroxy-3-(2-hydroxy-5-tetradecoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(tetradecoxy)methyl]phenyl]thio]benzoic acid tetradecyl ester IUPAC Name: tetradecyl 4-hydroxy-3-(2-hydroxy-5-tetradecoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-myristyloxycarbonyl-phenyl)thio]benzoic acid myristyl ester Formula: C42H66O6S MolecularWeight: 699.03484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCC)O

InChI

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