digalloyl trioleate (Q27286548)

UNII-PGQ9BY2MDE (English)

14 October 2016

chemical formula

C₆₈H₁₀₆O₁₂

1 reference

UNII-PGQ9BY2MDE (English)

14 October 2016

canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O

1 reference

UNII-PGQ9BY2MDE (English)

14 October 2016

isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC(=CC(=C1OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O

1 reference

UNII-PGQ9BY2MDE (English)

InChI=1S/C68H106O12/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-62(70)77-60-54-57(68(76)79-59-53-56(67(74)75)52-58(69)65(59)73)55-61(78-63(71)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66(60)80-64(72)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,52-55,69,73H,4-24,31-51H2,1-3H3,(H,74,75)/b28-25-,29-26-,30-27-

14 October 2016

Identifiers

InChI

1 reference

UNII-PGQ9BY2MDE (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-PGQ9BY2MDE (English)

14 October 2016

1 reference

UNII

PGQ9BY2MDE

digalloyl trioleate (English)

14 October 2016

1 reference

3,4-Dihydroxy-5-({3,4,5-tris[(9Z)-9-octadecenoyloxy]benzoyl}oxy)benzoic acid (English)

14 October 2016

2 references

UNII-PGQ9BY2MDE (English)

matched by identifier from

14 October 2016

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1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

PGQ9BY2MDE

digalloyl trioleate (English)

matched by identifier from

14 October 2016