(E)-but-2-enedioic acid; 6,7,8-trimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 6,7,8-trimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline Openeye Name: fumaric acid; 6,7,8-trimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline CAS Name: (E)-2-butenedioic acid; 6,7,8-trimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (E)-but-2-enedioic acid; 6,7,8-trimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline Traditional Name: fumaric acid; 6,7,8-trimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline Formula: C17H23NO7 MolecularWeight: 353.36702

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=C(C=C2CCN1)OC)OC)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1C2=C(C(=C(C=C2CCN1)OC)OC)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19NO3.C4H4O4/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4;5-3(6)1-2-4(7)8/h7-8,14H,5-6H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+