(Z)-but-2-enedioic acid; [2-(2,5-dimethoxyphenyl)sulfanylphenyl]methanamine

Systemtic Name: (Z)-but-2-enedioic acid; [2-(2,5-dimethoxyphenyl)sulfanylphenyl]methanamine Openeye Name: [2-(2,5-dimethoxyphenyl)sulfanylphenyl]methanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; [2-[(2,5-dimethoxyphenyl)thio]phenyl]methanamine IUPAC Name: (Z)-but-2-enedioic acid; [2-(2,5-dimethoxyphenyl)sulfanylphenyl]methanamine Traditional Name: [2-[(2,5-dimethoxyphenyl)thio]benzyl]amine; maleic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=CC=CC=C2CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=CC=CC=C2CN.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17NO2S.C4H4O4/c1-17-12-7-8-13(18-2)15(9-12)19-14-6-4-3-5-11(14)10-16;5-3(6)1-2-4(7)8/h3-9H,10,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-