nonadecyl 3-(5-nonadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: nonadecyl 3-(5-nonadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: nonadecyl 4-hydroxy-3-(2-hydroxy-5-nonadecoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[nonadecoxy(oxo)methyl]phenyl]thio]benzoic acid nonadecyl ester IUPAC Name: nonadecyl 4-hydroxy-3-(2-hydroxy-5-nonadecoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-nonadecoxycarbonyl-phenyl)thio]benzoic acid nonadecyl ester Formula: C52H86O6S MolecularWeight: 839.30064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C52H86O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-57-51(55)45-37-39-47(53)49(43-45)59-50-44-46(38-40-48(50)54)52(56)58-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,43-44,53-54H,3-36,41-42H2,1-2H3