HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166300Generated: October 28, 2026
Disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis[imino[3-isopropylpropane-1,3-diyl]]]bis(benzenesulphonate)
https://huagongshe.com/en/chemical/166300
Identifiers & Physical Properties
| CAS No. | 72749-90-7 |
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| Molecular formula | C40H45N2Na2O8S2+ |
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| Average molar mass | 791.9 g/mol |
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| Monoisotopic mass | 791.24127231 g/mol |
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| SMILES | CC(C)CC(CCOS(=O)(=O)c1ccccc1)N=C1C=CC(=NC(CCOS(=O)(=O)c2ccccc2)CC(C)C)c2c1c([O-])c1ccccc1c2O.[Na+].[Na+] |
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| InChIKey | YIVVMFQZAAXPRI-UHFFFAOYSA-M |
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| PubChem CID | 166300 |
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Chemical & Physical Properties
| Topological polar surface area | 172 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 16 |
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| Heavy atoms | 54 |
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| Formal charge | 1 |
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| Complexity | 1,440 |
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![Disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis[imino[3-isopropylpropane-1,3-diyl]]]bis(benzenesulphonate) molecular structure](/img/chemical/166300.png)