Chemical ID: 5665656

c1ccc(cc1)C=CC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
Chemical ID:
5665656
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C=CC(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C23H16O4/c24-21(13-10-16-6-2-1-3-7-16)26-15-18-14-22(25)27-20-12-11-17-8-4-5-9-19(17)23(18)20/h1-14H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,22,3,5,24,21,7,26,27,8,14,12,4,25,13,20,18,9,15,19,10,16,11,17/E:(2,3)(6,7)/rA:27nCCCCCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;s15;s17;s13s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6177
Area:553.849
Solvation:-3.22856
Coulombic:-41.2893
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:356.371
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):5.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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