N-ethylethanamine; 1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: N-ethylethanamine; 1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: N-ethylethanamine; 1-hydroxy-4-oxo-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: N-ethylethanamine; 1-hydroxy-4-oxo-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: N-ethylethanamine; 1-hydroxy-4-oxocyclohexa-2,5-diene-1-sulfonic acid Traditional Name: diethylamine; 1-hydroxy-4-keto-cyclohexa-2,5-diene-1-sulfonic acid Formula: C10H17NO5S MolecularWeight: 263.31068

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC(C=CC1=O)(O)S(=O)(=O)O

Isomeric SMILES

CCNCC.C1=CC(C=CC1=O)(O)S(=O)(=O)O

InChI

InChI=1S/C6H6O5S.C4H11N/c7-5-1-3-6(8,4-2-5)12(9,10)11;1-3-5-4-2/h1-4,8H,(H,9,10,11);5H,3-4H2,1-2H3