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Chemical ID: 6429901
Chemical ID:
6429901
Name [?]:
[2-(3-phenylprop-2-enoyloxy)-3,5-ditert-butyl-phenyl] 3-phenylprop-2-enoate
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)OC(=O)C=Cc2ccccc2)OC(=O)C=Cc3ccccc3)C(C)(C)C
InChi [?]:
InChI=1/C32H34O4/c1-31(2,3)25-21-26(32(4,5)6)30(36-29(34)20-18-24-15-11-8-12-16-24)27(22-25)35-28(33)19-17-23-13-9-7-10-14-23/h7-22H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,34,35,36,19,30,18,20,29,31,17,21,28,32,15,26,14,25,6,10,16,27,5,7,9,12,23,8,2,33,13,24,11,22/E:(1,2,3)(4,5,6)(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCCCCOCOCCCCCCCCOCOCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s8;s22;d23;s23;w25;s26;s27;d28;s29;d30;d27s31;s7;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H34O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3538 |
Area: | 695.954 |
Solvation: | -3.04509 |
Coulombic: | -44.4773 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 482.61 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 8.72 |
LogP (Chemaxon): | 8.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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