ethanedioic acid; 1-[2-(2-methoxy-4-methylsulfinyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-(2-methoxy-4-methylsulfinyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-[2-(2-methoxy-4-methylsulfinyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[2-(2-methoxy-4-methylsulfinylphenoxy)ethylamino]-3-(2-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[2-(2-methoxy-4-methylsulfinylphenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[2-(2-methoxy-4-methylsulfinyl-phenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Formula: C22H29NO9S MolecularWeight: 483.53196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNCCOC2=C(C=C(C=C2)S(=O)C)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNCCOC2=C(C=C(C=C2)S(=O)C)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO5S.C2H2O4/c1-15-6-4-5-7-18(15)26-14-16(22)13-21-10-11-25-19-9-8-17(27(3)23)12-20(19)24-2;3-1(4)2(5)6/h4-9,12,16,21-22H,10-11,13-14H2,1-3H3;(H,3,4)(H,5,6)