(E)-but-2-enedioic acid; (6Z)-2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione; phenylmethanamine

Systemtic Name: (E)-but-2-enedioic acid; (6Z)-2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione; phenylmethanamine Openeye Name: fumaric acid; (6Z)-2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione; phenylmethanamine CAS Name: (E)-2-butenedioic acid; (6Z)-2-methyl-2,3-dihydro-1,4-dioxocin-5,8-dione; phenylmethanamine IUPAC Name: (E)-but-2-enedioic acid; (6Z)-2-methyl-2,3-dihydro-1,4-dioxocine-5,8-dione; phenylmethanamine Traditional Name: benzylamine; fumaric acid; (6Z)-2-methyl-2,3-dihydro-1,4-dioxocin-5,8-quinone Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(=O)C=CC(=O)O1.C1=CC=C(C=C1)CN.C1=CC=C(C=C1)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1COC(=O)/C=C\C(=O)O1.C1=CC=C(C=C1)CN.C1=CC=C(C=C1)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C7H9N.C7H8O4.C4H4O4/c2*8-6-7-4-2-1-3-5-7;1-5-4-10-6(8)2-3-7(9)11-5;5-3(6)1-2-4(7)8/h2*1-5H,6,8H2;2-3,5H,4H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;3-2-;2-1+