pentadecyl 4-oxidanyl-3-(2-oxidanyl-5-pentadecoxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: pentadecyl 4-oxidanyl-3-(2-oxidanyl-5-pentadecoxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: pentadecyl 4-hydroxy-3-(2-hydroxy-5-pentadecoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(pentadecoxy)methyl]phenyl]thio]benzoic acid pentadecyl ester IUPAC Name: pentadecyl 4-hydroxy-3-(2-hydroxy-5-pentadecoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-pentadecoxycarbonyl-phenyl)thio]benzoic acid pentadecyl ester Formula: C44H70O6S MolecularWeight: 727.088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C44H70O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-49-43(47)37-29-31-39(45)41(35-37)51-42-36-38(30-32-40(42)46)44(48)50-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35-36,45-46H,3-28,33-34H2,1-2H3