ethanedioic acid; 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfinyl-phenyl)ethanol

Systemtic Name: ethanedioic acid; 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfinyl-phenyl)ethanol Openeye Name: 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfinyl-phenyl)ethanol; oxalic acid CAS Name: 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfinylphenyl)ethanol; oxalic acid IUPAC Name: 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfinylphenyl)ethanol; oxalic acid Traditional Name: 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfinyl-phenyl)ethanol; oxalic acid Formula: C21H27NO8S MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO4S.C2H2O4/c1-14-8-9-15(12-19(14)25(3)22)16(21)13-20-10-11-24-18-7-5-4-6-17(18)23-2;3-1(4)2(5)6/h4-9,12,16,20-21H,10-11,13H2,1-3H3;(H,3,4)(H,5,6)