Chemical ID: 5269102

CCCOC(=O)c1ccc(cc1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)C4CC4
Chemical ID:
5269102
Name [?]:
propyl 4-[7-cyclopropylcarbonyloxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)C4CC4
InChi [?]:
InChI=1/C24H19F3O7/c1-2-11-31-22(29)13-5-7-15(8-6-13)32-20-19(28)17-10-9-16(33-23(30)14-3-4-14)12-18(17)34-21(20)24(25,26)27/h5-10,12,14H,2-4,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,33,34,8,12,9,11,19,18,3,21,7,32,10,20,17,22,15,14,24,5,30,25,26,27,28,16,6,31,4,13,29,23/E:(3,4)(5,6)(7,8)(25,26,27)/rA:34nCCCOCOCCCCCCOCCOCCCCCCOCCFFFOCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;s25;s25;s25;s20;s29;d30;s30;s32;s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19F3O7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.1701
Area:684.445
Solvation:-4.941
Coulombic:-81.5061
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:476.399
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.13
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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