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

Systemtic Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)ethanamine Openeye Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)ethanamine CAS Name: (Z)-2-butenedioate; 2-[4-(heptylthio)-2,5-dimethoxyphenyl]ethanamine IUPAC Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine Traditional Name: 2-[4-(heptylthio)-2,5-dimethoxy-phenyl]ethylamine maleate Formula: C21H31NO6S-2 MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

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