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Chemical ID: 7518184

Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccc(cc2)Cc3ccccc3

Chemical ID:

7518184

Name [?]:

1-(4-benzylphenyl)-2-(p-tolylsulfonyl)ethanone

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccc(cc2)Cc3ccccc3

InChi [?]:

InChI=1/C22H20O3S/c1-17-7-13-21(14-8-17)26(24,25)16-22(23)20-11-9-19(10-12-20)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,24,23,25,22,26,3,7,16,18,15,19,4,6,20,11,2,21,17,14,5,12,13,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/CRV:26.6/rA:26nCCCCCCCSOOCCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀O₃S
All Atoms:	46
Heavy Atoms:	26
Chiral Atoms:	None

ZAP Information [?]

Total:	9.75931
Area:	589.721
Solvation:	-4.98373
Coulombic:	-12.8174

Bond Count [?]

All:	28
Single:	16
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.0
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value