(E)-but-2-enedioic acid; 4-methyldodecan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-methyldodecan-1-amine Openeye Name: fumaric acid; 4-methyldodecan-1-amine CAS Name: (E)-2-butenedioic acid; 4-methyl-1-dodecanamine IUPAC Name: (E)-but-2-enedioic acid; 4-methyldodecan-1-amine Traditional Name: fumaric acid; 4-methyldodecylamine Formula: C21H37NO8 MolecularWeight: 431.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)CCCN.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC(CCCN)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H29N.2C4H4O4/c1-3-4-5-6-7-8-10-13(2)11-9-12-14;2*5-3(6)1-2-4(7)8/h13H,3-12,14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+