3-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]-3-methanoyl-cyclohexane-1-sulfonic acid

Systemtic Name: 3-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]-3-methanoyl-cyclohexane-1-sulfonic acid Openeye Name: 3-[(2,5-dioxopyrrol-1-yl)methyl]-3-formyl-cyclohexanesulfonic acid CAS Name: 3-[(2,5-dioxo-1-pyrrolyl)methyl]-3-formyl-1-cyclohexanesulfonic acid IUPAC Name: 3-[(2,5-dioxopyrrol-1-yl)methyl]-3-formylcyclohexane-1-sulfonic acid Traditional Name: 3-formyl-3-(maleimidomethyl)cyclohexanesulfonic acid Formula: C12H15NO6S MolecularWeight: 301.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(CN2C(=O)C=CC2=O)C=O)S(=O)(=O)O

Isomeric SMILES

C1CC(CC(C1)(CN2C(=O)C=CC2=O)C=O)S(=O)(=O)O

InChI

InChI=1S/C12H15NO6S/c14-8-12(7-13-10(15)3-4-11(13)16)5-1-2-9(6-12)20(17,18)19/h3-4,8-9H,1-2,5-7H2,(H,17,18,19)