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

Systemtic Name: hexadecan-2-yl 3-(5-hexadecan-2-yloxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: 1-methylpentadecyl 4-hydroxy-3-[2-hydroxy-5-(1-methylpentadecoxycarbonyl)phenyl]sulfanyl-benzoate CAS Name: 3-[[5-[hexadecan-2-yloxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid hexadecan-2-yl ester IUPAC Name: hexadecan-2-yl 3-(5-hexadecan-2-yloxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 4-hydroxy-3-[[2-hydroxy-5-(1-methylpentadecoxycarbonyl)phenyl]thio]benzoic acid 1-methylpentadecyl ester Formula: C46H74O6S MolecularWeight: 755.14116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)OC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC(C)CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)OC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OC(C)CCCCCCCCCCCCCC)O

InChI

InChI=1S/C46H74O6S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-37(3)51-45(49)39-31-33-41(47)43(35-39)53-44-36-40(32-34-42(44)48)46(50)52-38(4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-38,47-48H,5-30H2,1-4H3