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

Systemtic Name: (Z)-but-2-enedioic acid; 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)-N-methyl-ethanamine Openeye Name: 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)-N-methyl-ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[2,5-dimethoxy-4-(pentylthio)phenyl]-N-methylethanamine IUPAC Name: (Z)-but-2-enedioic acid; 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N-methylethanamine Traditional Name: 2-[4-(amylthio)-2,5-dimethoxy-phenyl]ethyl-methyl-amine; maleic acid Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2S.C4H4O4/c1-5-6-7-10-20-16-12-14(18-3)13(8-9-17-2)11-15(16)19-4;5-3(6)1-2-4(7)8/h11-12,17H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-