Chemical ID: 6470294

COc1ccccc1C(c2c(c3c4ccccc4ccc3oc2=O)O)c5c(c6c7ccccc7ccc6oc5=O)O
Chemical ID:
6470294
Name [?]:
None
SMILES [?]:
COc1ccccc1C(c2c(c3c4ccccc4ccc3oc2=O)O)c5c(c6c7ccccc7ccc6oc5=O)O
InChi [?]:
InChI=1/C34H22O7/c1-39-23-13-7-6-12-22(23)28(29-31(35)26-20-10-4-2-8-18(20)14-16-24(26)40-33(29)37)30-32(36)27-21-11-5-3-9-19(21)15-17-25(27)41-34(30)38/h2-17,28,35-36H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,32,15,31,6,5,17,33,14,30,7,4,19,35,20,36,18,34,13,29,8,3,21,37,12,28,9,10,26,11,27,23,39,25,41,24,40,2,22,38/E:(2,3)(4,5)(8,9)(10,11)(14,15)(16,17)(18,19)(20,21)(24,25)(26,27)(29,30)(31,32)(33,34)(35,36)(37,38)(40,41)/rA:41nCOCCCCCCCCCCCCCCCCCCCOCOOCCCCCCCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;s10s22;d23;s11;s9;d26;s27;s28;s29;d30;s31;d32;d29s33;s34;d35;d28s36;s37;s26s38;d39;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H22O7
All Atoms:41
Heavy Atoms:41
Chiral Atoms:0
ZAP Information [?]
Total:11.719
Area:696.188
Solvation:-5.68574
Coulombic:-79.8563
Bond Count [?]
All:47
Single:30
Double:17
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:542.534
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.07
LogP (Chemaxon):8.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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