Chemical ID: 6719215

c1ccc(cc1)CS(=O)(=O)c2ccc(cc2)C(=O)[O-]
Chemical ID:
6719215
Name [?]:
4-benzylsulfonylbenzoate
SMILES [?]:
c1ccc(cc1)CS(=O)(=O)c2ccc(cc2)C(=O)[O-]
InChi [?]:
InChI=1/C14H12O4S/c15-14(16)12-6-8-13(9-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,15,12,16,7,4,14,11,17,18,19,9,10,8/E:(2,3)(4,5)(6,7)(8,9)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCCSOOCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11O4S-
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-31.8737
Area:456.293
Solvation:-43.281
Coulombic:-6.70272
Bond Count [?]
All:20
Single:11
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.301
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.12
LogP (Chemaxon):2.24

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Descriptor Annotations

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