Chemical ID: 3968432

CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
Chemical ID:
3968432
Name [?]:
4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one
SMILES [?]:
CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3
InChi [?]:
InChI=1/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,7,9,6,10,16,8,17,5,11,12,13,14,3,4,15,2/E:(3,4)(5,6)(7,8)(9,10)(19,20)/CRV:22.6/rA:22nCSOOCCCCCCCCCOOCCCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;d13;s13;s11s15;s12;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.97643
Area:496.506
Solvation:-4.43623
Coulombic:-23.167
Bond Count [?]
All:24
Single:14
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.357
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):1.87

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