1-[(4-methanoylcyclohexyl)methyl]-2,5-bis(oxidanylidene)pyrrole-3-sulfonic acid

Systemtic Name: 1-[(4-methanoylcyclohexyl)methyl]-2,5-bis(oxidanylidene)pyrrole-3-sulfonic acid Openeye Name: 1-[(4-formylcyclohexyl)methyl]-2,5-dioxo-pyrrole-3-sulfonic acid CAS Name: 1-[(4-formylcyclohexyl)methyl]-2,5-dioxo-3-pyrrolesulfonic acid IUPAC Name: 1-[(4-formylcyclohexyl)methyl]-2,5-dioxopyrrole-3-sulfonic acid Traditional Name: 1-[(4-formylcyclohexyl)methyl]-2,5-diketo-3-pyrroline-3-sulfonic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C=C(C2=O)S(=O)(=O)O)C=O

Isomeric SMILES

C1CC(CCC1CN2C(=O)C=C(C2=O)S(=O)(=O)O)C=O

InChI

InChI=1S/C12H15NO6S/c14-7-9-3-1-8(2-4-9)6-13-11(15)5-10(12(13)16)20(17,18)19/h5,7-9H,1-4,6H2,(H,17,18,19)