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Chemical ID: 6462793
Chemical ID:
6462793
Name [?]:
[4-(2-ethoxybenzoyl)oxyphenyl] 2-ethoxybenzoate
SMILES [?]:
CCOc1ccccc1C(=O)Oc2ccc(cc2)OC(=O)c3ccccc3OCC
InChi [?]:
InChI=1/C24H22O6/c1-3-27-21-11-7-5-9-19(21)23(25)29-17-13-15-18(16-14-17)30-24(26)20-10-6-8-12-22(20)28-4-2/h5-16H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,7,24,6,25,8,23,5,26,14,18,15,17,13,16,9,22,4,27,10,20,11,21,3,28,12,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCCOCCCCCCCOOCCCCCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6302 |
Area: | 654.368 |
Solvation: | -5.72901 |
Coulombic: | -54.5397 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 406.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.7 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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