ethanedioic acid; 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]thiomorpholine

Systemtic Name: ethanedioic acid; 4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]thiomorpholine Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methyl]thiomorpholine; oxalic acid CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiomorpholine; oxalic acid IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiomorpholine; oxalic acid Traditional Name: 4-(4-benzoxy-3-methoxy-benzyl)thiomorpholine; oxalic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCSCC2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCSCC2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23NO2S.C2H2O4/c1-21-19-13-17(14-20-9-11-23-12-10-20)7-8-18(19)22-15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)