VWO
6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid
Created: | 2023-04-12 |
Last modified: | 2024-01-24 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid |
Synonyms | 7-amino-1-naphthol-3-sulfonic acid |
Systematic Name (OpenEye OEToolkits) | 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid |
Formula | C10 H9 N O4 S |
Molecular Weight | 239.248 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Nc1ccc2cc(cc(O)c2c1)[S](O)(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc(cc2O)S(=O)(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | Nc1ccc2cc(cc(O)c2c1)[S](O)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc(cc2O)S(=O)(=O)O)N |
InChI | InChI | 1.06 | InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15) |
InChIKey | InChI | 1.06 | HBZVNWNSRNTWPS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7022 |
ChEMBL | CHEMBL3087995 |