N-ethylethanamine; 2-oxidanyl-5-(phenylcarbonyloxy)benzenesulfonic acid

Systemtic Name: N-ethylethanamine; 2-oxidanyl-5-(phenylcarbonyloxy)benzenesulfonic acid Openeye Name: 5-benzoyloxy-2-hydroxy-benzenesulfonic acid; N-ethylethanamine CAS Name: 5-benzoyloxy-2-hydroxybenzenesulfonic acid; N-ethylethanamine IUPAC Name: 5-benzoyloxy-2-hydroxybenzenesulfonic acid; N-ethylethanamine Traditional Name: 5-benzoyloxy-2-hydroxy-besylic acid; diethylamine Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O

Isomeric SMILES

CCNCC.C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O

InChI

InChI=1S/C13H10O6S.C4H11N/c14-11-7-6-10(8-12(11)20(16,17)18)19-13(15)9-4-2-1-3-5-9;1-3-5-4-2/h1-8,14H,(H,16,17,18);5H,3-4H2,1-2H3