(E)-but-2-enedioic acid; (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine Openeye Name: fumaric acid; (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine CAS Name: (E)-2-butenedioic acid; (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine IUPAC Name: (E)-but-2-enedioic acid; (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine Traditional Name: fumaric acid; (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methylamine Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C(C3=C(C2)C=C(C=C3)OC)CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C(C3=C(C2)C=C(C=C3)OC)CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29NO.C4H4O4/c1-3-4-5-6-7-16-8-10-20-17(12-16)13-18-14-19(24-2)9-11-21(18)22(20)15-23;5-3(6)1-2-4(7)8/h8-12,14,22H,3-7,13,15,23H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+