(E)-but-2-enedioic acid; 2-piperazin-1-ylethanol; 2,3,4-trimethoxybenzoic acid

Systemtic Name: (E)-but-2-enedioic acid; 2-piperazin-1-ylethanol; 2,3,4-trimethoxybenzoic acid Openeye Name: fumaric acid; 2-piperazin-1-ylethanol; 2,3,4-trimethoxybenzoic acid CAS Name: (E)-2-butenedioic acid; 2-(1-piperazinyl)ethanol; 2,3,4-trimethoxybenzoic acid IUPAC Name: (E)-but-2-enedioic acid; 2-piperazin-1-ylethanol; 2,3,4-trimethoxybenzoic acid Traditional Name: fumaric acid; 2-piperazinoethanol; 2,3,4-trimethoxybenzoic acid Formula: C20H30N2O10 MolecularWeight: 458.4596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)O)OC)OC.C1CN(CCN1)CCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)O)OC)OC.C1CN(CCN1)CCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H12O5.C6H14N2O.C4H4O4/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3;9-6-5-8-3-1-7-2-4-8;5-3(6)1-2-4(7)8/h4-5H,1-3H3,(H,11,12);7,9H,1-6H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+