XV7
9H-fluorene-2,7-disulfonate
Created: | 2021-01-15 |
Last modified: | 2021-12-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 9H-fluorene-2,7-disulfonate |
Systematic Name (OpenEye OEToolkits) | 9~{H}-fluorene-2,7-disulfonic acid |
Formula | C13 H10 O6 S2 |
Molecular Weight | 326.345 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(ccc(S(O)(=O)=O)c1)c3ccc(cc3C2)S(O)(=O)=O |
SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc2c(Cc3cc(ccc23)[S](O)(=O)=O)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O |
Canonical SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc2c(Cc3cc(ccc23)[S](O)(=O)=O)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc-2c(cc1S(=O)(=O)O)Cc3c2ccc(c3)S(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C13H10O6S2/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19) |
InChIKey | InChI | 1.03 | WBJRJWHBYUAEQD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2060084 |