Chemical ID: 7511707

c1ccc(cc1)S(=O)(=O)c2cc(ccc2C(=O)O)C(=O)O
Chemical ID:
7511707
Name [?]:
2-phenylsulfonylterephthalic acid
SMILES [?]:
c1ccc(cc1)S(=O)(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C14H10O6S/c15-13(16)9-6-7-11(14(17)18)12(8-9)21(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,12,4,15,10,19,16,20,21,17,18,8,9,7/E:(2,3)(4,5)(15,16)(17,18)(19,20)/CRV:21.6/rA:21nCCCCCCSOOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;d16;s16;s12;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O6S
All Atoms:31
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:7.52168
Area:451.297
Solvation:-3.76075
Coulombic:-58.8812
Bond Count [?]
All:22
Single:12
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.23
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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