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Tri-O-thymotide
[CAS# 4399-52-4]

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Identification
Name Tri-O-thymotide
Synonyms ZINC02149568
Molecular Structure CAS#: 4399-52-4, Tri-O-thymotide
Molecular Formula C33H36O6
Molecular Weight 528.64
CAS Registry Number 4399-52-4
SMILES O=C2Oc4c(C(=O)Oc3c(C(=O)Oc1c(ccc(c12)C)C(C)C)c(ccc3C(C)C)C)c(ccc4C(C)C)C
InChI 1S/C33H36O6/c1-16(2)22-13-10-19(7)25-28(22)37-32(35)26-20(8)11-14-23(17(3)4)29(26)39-33(36)27-21(9)12-15-24(18(5)6)30(27)38-31(25)34/h10-18H,1-9H3
InChIKey ZIKHLMVJGCYVAC-UHFFFAOYSA-N
Properties
Density 1.139g/cm3 (Cal.)
Boiling point 658.94°C at 760 mmHg (Cal.)
Flash point 275.177°C (Cal.)
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