ethanedioic acid; 1-[2-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)ethylamino]-3-phenoxy-propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)ethylamino]-3-phenoxy-propan-2-ol Openeye Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)ethylamino]-3-phenoxy-propan-2-ol; oxalic acid CAS Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfinylphenoxy)ethylamino]-3-phenoxy-2-propanol; oxalic acid IUPAC Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfinylphenoxy)ethylamino]-3-phenoxypropan-2-ol; oxalic acid Traditional Name: 1-[2-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)ethylamino]-3-phenoxy-propan-2-ol; oxalic acid Formula: C22H29NO9S MolecularWeight: 483.53196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)C)OC)OCCNCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)C)OC)OCCNCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

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