Created
March 22, 2022 13:39
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7 valent carbon SMILES to InChI
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| Testing a 7 valent carbon | |
| SMILES_IN = C(C)(C)(C)(C)(C)(C)C | |
| INCHI_OUT = InChI=1S/C8H21/c1-8(2,3,4,5,6)7/h1-7H3 | |
| *** Open Babel Warning in InChI code | |
| #1 :Accepted unusual valence(s): C(7) | |
| CDK yes | |
| ChemDraw yes | |
| OpenBabel yes | |
| JChem (via MarvinJS) yes (https://marvinjs-demo.chemaxon.com/latest/) | |
| EPAM Indigo yes (https://lifescience.opensource.epam.com/ketcher/demo/ketcher_2_3_remote.html) - "Structure contains 1 atom with bad valence" |
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