hexadecyl 3-(5-hexadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: hexadecyl 3-(5-hexadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: hexadecyl 3-(5-hexadecoxycarbonyl-2-hydroxy-phenyl)sulfanyl-4-hydroxy-benzoate CAS Name: 3-[[5-[hexadecoxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-(5-hexadecoxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 3-[(5-cetyloxycarbonyl-2-hydroxy-phenyl)thio]-4-hydroxy-benzoic acid cetyl ester Formula: C46H74O6S MolecularWeight: 755.14116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCC)O

InChI

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