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Chemical ID: 5788120
Chemical ID:
5788120
Name [?]:
(5-hydroxy-7-sodiooxysulfonyl-2-naphthyl)sulfonyloxysodium
SMILES [?]:
c1cc2c(cc1S(=O)(=O)O[Na])cc(cc2O)S(=O)(=O)O[Na]
InChi [?]:
InChI=1/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChi Info:
AuxInfo=1/1/N:1,2,5,12,14,4,6,13,3,15,16,8,9,10,18,19,20,7,17;11;21/E:(12,13,14)(15,16,17);;/CRV:18.6,19.6;;/rA:21nCCCCCCSOOONaCCCCOSOOONa/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s4;d12;s13;s3d14;s15;s13;d17;d17;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6Na2O7S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.262 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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