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Chemical ID: 7511707
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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