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

Systemtic Name: ethanedioic acid; 1-[1-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol Openeye Name: 1-[[2-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)-1-methyl-ethyl]amino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid CAS Name: 1-[1-(2-methoxy-5-methyl-4-methylsulfinylphenoxy)propan-2-ylamino]-3-(2-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[1-(2-methoxy-5-methyl-4-methylsulfinylphenoxy)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[[2-(2-methoxy-5-methyl-4-methylsulfinyl-phenoxy)-1-methyl-ethyl]amino]-3-(2-methylphenoxy)propan-2-ol; oxalic acid Formula: C24H33NO9S MolecularWeight: 511.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CNC(C)COC2=C(C=C(C(=C2)C)S(=O)C)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CNC(C)COC2=C(C=C(C(=C2)C)S(=O)C)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31NO5S.C2H2O4/c1-15-8-6-7-9-19(15)28-14-18(24)12-23-17(3)13-27-21-10-16(2)22(29(5)25)11-20(21)26-4;3-1(4)2(5)6/h6-11,17-18,23-24H,12-14H2,1-5H3;(H,3,4)(H,5,6)