1,4-bis(oxidanyl)cyclohexa-3,5-diene-1,2-disulfonic acid; N-ethylethanamine

Systemtic Name: 1,4-bis(oxidanyl)cyclohexa-3,5-diene-1,2-disulfonic acid; N-ethylethanamine Openeye Name: 1,4-dihydroxycyclohexa-3,5-diene-1,2-disulfonic acid; N-ethylethanamine CAS Name: 1,4-dihydroxycyclohexa-3,5-diene-1,2-disulfonic acid; N-ethylethanamine IUPAC Name: 1,4-dihydroxycyclohexa-3,5-diene-1,2-disulfonic acid; N-ethylethanamine Traditional Name: diethylamine; 1,4-dihydroxycyclohexa-3,5-diene-1,2-disulfonic acid Formula: C14H30N2O8S2 MolecularWeight: 418.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCNCC.C1=CC(C(C=C1O)S(=O)(=O)O)(O)S(=O)(=O)O

Isomeric SMILES

CCNCC.CCNCC.C1=CC(C(C=C1O)S(=O)(=O)O)(O)S(=O)(=O)O

InChI

InChI=1S/C6H8O8S2.2C4H11N/c7-4-1-2-6(8,16(12,13)14)5(3-4)15(9,10)11;2*1-3-5-4-2/h1-3,5,7-8H,(H,9,10,11)(H,12,13,14);2*5H,3-4H2,1-2H3