(E)-but-2-enedioic acid; 3-(2-methoxyphenyl)-N,N-dimethyl-3-(4-propylphenyl)sulfinyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenyl)-N,N-dimethyl-3-(4-propylphenyl)sulfinyl-propan-1-amine Openeye Name: fumaric acid; 3-(2-methoxyphenyl)-N,N-dimethyl-3-(4-propylphenyl)sulfinyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; 3-(2-methoxyphenyl)-N,N-dimethyl-3-(4-propylphenyl)sulfinyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenyl)-N,N-dimethyl-3-(4-propylphenyl)sulfinylpropan-1-amine Traditional Name: fumaric acid; [3-(2-methoxyphenyl)-3-(4-propylphenyl)sulfinyl-propyl]-dimethyl-amine Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)C(CCN(C)C)C2=CC=CC=C2OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)C(CCN(C)C)C2=CC=CC=C2OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H29NO2S.C4H4O4/c1-5-8-17-11-13-18(14-12-17)25(23)21(15-16-22(2)3)19-9-6-7-10-20(19)24-4;5-3(6)1-2-4(7)8/h6-7,9-14,21H,5,8,15-16H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+