(Z)-but-2-enedioate; 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanamine

Systemtic Name: (Z)-but-2-enedioate; 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanamine Openeye Name: (Z)-but-2-enedioate; 2-(2,5-dimethoxy-4-pentylsulfanyl-phenyl)ethanamine CAS Name: (Z)-2-butenedioate; 2-[2,5-dimethoxy-4-(pentylthio)phenyl]ethanamine IUPAC Name: (Z)-but-2-enedioate; 2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethanamine Traditional Name: 2-[4-(amylthio)-2,5-dimethoxy-phenyl]ethylamine maleate Formula: C19H27NO6S-2 MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C15H25NO2S.C4H4O4/c1-4-5-6-9-19-15-11-13(17-2)12(7-8-16)10-14(15)18-3;5-3(6)1-2-4(7)8/h10-11H,4-9,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-