heptadecyl 3-(5-heptadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate

Systemtic Name: heptadecyl 3-(5-heptadecoxycarbonyl-2-oxidanyl-phenyl)sulfanyl-4-oxidanyl-benzoate Openeye Name: heptadecyl 3-(5-heptadecoxycarbonyl-2-hydroxy-phenyl)sulfanyl-4-hydroxy-benzoate CAS Name: 3-[[5-[heptadecoxy(oxo)methyl]-2-hydroxyphenyl]thio]-4-hydroxybenzoic acid heptadecyl ester IUPAC Name: heptadecyl 3-(5-heptadecoxycarbonyl-2-hydroxyphenyl)sulfanyl-4-hydroxybenzoate Traditional Name: 3-[(5-heptadecoxycarbonyl-2-hydroxy-phenyl)thio]-4-hydroxy-benzoic acid heptadecyl ester Formula: C48H78O6S MolecularWeight: 783.19432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(=O)OCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C48H78O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-53-47(51)41-33-35-43(49)45(39-41)55-46-40-42(34-36-44(46)50)48(52)54-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,39-40,49-50H,3-32,37-38H2,1-2H3