(E)-but-2-enedioic acid; (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine Openeye Name: fumaric acid; (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine CAS Name: (E)-2-butenedioic acid; (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine IUPAC Name: (E)-but-2-enedioic acid; (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine Traditional Name: fumaric acid; (3-methoxy-9,10-dihydroanthracen-9-yl)methylamine Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C3=CC=CC=C3C2)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(C3=CC=CC=C3C2)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17NO.C4H4O4/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17;5-3(6)1-2-4(7)8/h2-7,9,16H,8,10,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+