(Z)-but-2-enedioic acid; 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)-N,N-dimethyl-ethanamine

Systemtic Name: (Z)-but-2-enedioic acid; 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)-N,N-dimethyl-ethanamine Openeye Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)-N,N-dimethyl-ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[2,5-dimethoxy-4-(pentylthio)phenyl]-N,N-dimethylethanamine IUPAC Name: (Z)-but-2-enedioic acid; 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N,N-dimethylethanamine Traditional Name: 2-[4-(amylthio)-2,5-dimethoxy-phenyl]ethyl-dimethyl-amine; maleic acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)OC)CCN(C)C)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)OC)CCN(C)C)OC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H29NO2S.C4H4O4/c1-6-7-8-11-21-17-13-15(19-4)14(9-10-18(2)3)12-16(17)20-5;5-3(6)1-2-4(7)8/h12-13H,6-11H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-