Chemical ID: 6451064

CC(=O)Oc1ccc(c2c1sc(=O)s2)OC(=O)C
Chemical ID:
6451064
Name [?]:
(5-acetoxy-8-oxo-7,9-dithiabicyclo[4.3.0]nona-1,3,5-trien-2-yl) acetate
SMILES [?]:
CC(=O)Oc1ccc(c2c1sc(=O)s2)OC(=O)C
InChi [?]:
InChI=1/C11H8O5S2/c1-5(12)15-7-3-4-8(16-6(2)13)10-9(7)17-11(14)18-10/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,6,7,2,16,5,8,10,9,12,3,17,13,4,15,11,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)(17,18)/rA:18nCCOOCCCCCCSCOSOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s9s12;s8;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8O5S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.75719
Area:444.001
Solvation:-3.34282
Coulombic:-43.5564
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:284.31
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.67
LogP (Chemaxon):2.3

Name Annotations

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Descriptor Annotations

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