N26
naphthalene-2,6-diyl bis[dihydrogen (phosphate)]
Created: | 2016-10-14 |
Last modified: | 2017-10-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | naphthalene-2,6-diyl bis[dihydrogen (phosphate)] |
Systematic Name (OpenEye OEToolkits) | (6-phosphonooxynaphthalen-2-yl) dihydrogen phosphate |
Formula | C10 H10 O8 P2 |
Molecular Weight | 320.129 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O |
SMILES | CACTVS | 3.385 | O[P](O)(=O)Oc1ccc2cc(O[P](O)(O)=O)ccc2c1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O |
Canonical SMILES | CACTVS | 3.385 | O[P](O)(=O)Oc1ccc2cc(O[P](O)(O)=O)ccc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H10O8P2/c11-19(12,13)17-9-3-1-7-5-10(18-20(14,15)16)4-2-8(7)6-9/h1-6H,(H2,11,12,13)(H2,14,15,16) |
InChIKey | InChI | 1.03 | WNOOOUFEMHHAIT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 21737374 |
ChEMBL | CHEMBL4302816 |