octadecyl 3-(5-octadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: octadecyl 3-(5-octadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: octadecyl 4-hydroxy-3-(2-hydroxy-5-octadecoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[octadecoxy(oxo)methyl]phenyl]thio]benzoic acid octadecyl ester IUPAC Name: octadecyl 4-hydroxy-3-(2-hydroxy-5-octadecoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 4-hydroxy-3-[(2-hydroxy-5-stearyloxycarbonyl-phenyl)thio]benzoic acid stearyl ester Formula: C50H82O6S MolecularWeight: 811.24748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C50H82O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-55-49(53)43-35-37-45(51)47(41-43)57-48-42-44(36-38-46(48)52)50(54)56-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-42,51-52H,3-34,39-40H2,1-2H3