N-ethylethanamine; 4-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzenesulfonic acid

Systemtic Name: N-ethylethanamine; 4-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzenesulfonic acid Openeye Name: 2,5-dihydroxy-4-(p-tolylsulfonyl)benzenesulfonic acid; N-ethylethanamine CAS Name: 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonic acid; N-ethylethanamine IUPAC Name: 2,5-dihydroxy-4-(4-methylphenyl)sulfonylbenzenesulfonic acid; N-ethylethanamine Traditional Name: diethylamine; 2,5-dihydroxy-4-tosyl-besylic acid Formula: C17H23NO7S2 MolecularWeight: 417.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)O)O

Isomeric SMILES

CCNCC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)O)S(=O)(=O)O)O

InChI

InChI=1S/C13H12O7S2.C4H11N/c1-8-2-4-9(5-3-8)21(16,17)12-6-11(15)13(7-10(12)14)22(18,19)20;1-3-5-4-2/h2-7,14-15H,1H3,(H,18,19,20);5H,3-4H2,1-2H3