(E)-but-2-enedioic acid; N',N'-diethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine

Systemtic Name: (E)-but-2-enedioic acid; N',N'-diethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N',N'-diethyl-N-[2-(phenylthio)ethyl]ethane-1,2-diamine IUPAC Name: (E)-but-2-enedioic acid; N',N'-diethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine Traditional Name: diethyl-[2-[2-(phenylthio)ethylamino]ethyl]amine; fumaric acid Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCCSC1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCNCCSC1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H24N2S.C4H4O4/c1-3-16(4-2)12-10-15-11-13-17-14-8-6-5-7-9-14;5-3(6)1-2-4(7)8/h5-9,15H,3-4,10-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+