(Z)-but-2-enedioic acid; N-(dibenzothiophen-4-ylmethyl)-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: (Z)-but-2-enedioic acid; N-(dibenzothiophen-4-ylmethyl)-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-(dibenzothiophen-4-ylmethyl)-N',N'-diethyl-ethane-1,2-diamine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-(4-dibenzothiophenylmethyl)-N',N'-diethylethane-1,2-diamine IUPAC Name: (Z)-but-2-enedioic acid; N-(dibenzothiophen-4-ylmethyl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-(dibenzothiophen-4-ylmethylamino)ethyl-diethyl-amine; maleic acid Formula: C27H32N2O8S MolecularWeight: 544.61658

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC1=CC=CC2=C1SC3=CC=CC=C23.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CCNCC1=CC=CC2=C1SC3=CC=CC=C23)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2S.2C4H4O4/c1-3-21(4-2)13-12-20-14-15-8-7-10-17-16-9-5-6-11-18(16)22-19(15)17;2*5-3(6)1-2-4(7)8/h5-11,20H,3-4,12-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-