Chemical ID: 6422241

CCOc1cccc(c1OS(=O)(=O)c2ccccc2)C=O
Chemical ID:
6422241
Name [?]:
3-ethoxy-2-phenylsulfonyloxy-benzaldehyde
SMILES [?]:
CCOc1cccc(c1OS(=O)(=O)c2ccccc2)C=O
InChi [?]:
InChI=1/C15H14O5S/c1-2-19-14-10-6-7-12(11-16)15(14)20-21(17,18)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,6,7,15,19,5,20,8,14,4,9,21,12,13,3,10,11/E:(4,5)(8,9)(17,18)/CRV:21.6/rA:21nCCOCCCCCCOSOOCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s8;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O5S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.32484
Area:433.143
Solvation:-3.50372
Coulombic:-25.2819
Bond Count [?]
All:22
Single:13
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:306.335
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.75
LogP (Chemaxon):3.02

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