Chemical ID: 6609911

c1cc(sc1)C(=O)OCc2ccc(cc2)COC(=O)c3cccs3
Chemical ID:
6609911
Name [?]:
[4-(2-thienylcarbonyloxymethyl)phenyl]methyl thiophene-2-carboxylate
SMILES [?]:
c1cc(sc1)C(=O)OCc2ccc(cc2)COC(=O)c3cccs3
InChi [?]:
InChI=1/C18H14O4S2/c19-17(15-3-1-9-23-15)21-11-13-5-7-14(8-6-13)12-22-18(20)16-4-2-10-24-16/h1-10H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,22,2,21,11,15,12,14,5,23,9,16,10,13,3,20,6,18,7,19,8,17,4,24/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCSCCOOCCCCCCCCOCOCCCCS/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14O4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.6902
Area:597.431
Solvation:-3.24563
Coulombic:-43.3514
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:358.433
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.53

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