(E)-but-2-enedioic acid; 11-methyldodecan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 11-methyldodecan-1-ol Openeye Name: fumaric acid; 11-methyldodecan-1-ol CAS Name: (E)-2-butenedioic acid; 11-methyl-1-dodecanol IUPAC Name: (E)-but-2-enedioic acid; 11-methyldodecan-1-ol Traditional Name: fumaric acid; 11-methyldodecan-1-ol Formula: C21H36O9 MolecularWeight: 432.50514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCCCCCCCCCO)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H28O.2C4H4O4/c1-13(2)11-9-7-5-3-4-6-8-10-12-14;2*5-3(6)1-2-4(7)8/h13-14H,3-12H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+