Chemical ID: 7048123

CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4c(oc5c4cc(cc5)OCC)C
Chemical ID:
7048123
Name [?]:
[2-[(4-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4c(oc5c4cc(cc5)OCC)C
InChi [?]:
InChI=1/C29H24O7/c1-4-32-19-8-6-18(7-9-19)14-26-28(30)22-12-10-21(16-25(22)36-26)35-29(31)27-17(3)34-24-13-11-20(33-5-2)15-23(24)27/h6-16H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,36,2,34,6,8,5,9,16,31,15,32,10,29,18,25,7,4,30,17,14,28,27,19,11,24,12,22,13,23,3,33,26,21,20/E:(6,7)(8,9)/rA:36nCCOCCCCCCCCCOCCCCCCOOCOCCOCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;d24;s25;s26;s24s27;d28;s29;d30;d27s31;s30;s33;s34;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H24O7
All Atoms:60
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.8912
Area:750.704
Solvation:-5.8764
Coulombic:-58.6637
Bond Count [?]
All:40
Single:27
Double:13
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:484.497
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.01
LogP (Chemaxon):5.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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