(Z)-but-2-enedioic acid; 2-dimethylaminoethyl octanoate

Systemtic Name: (Z)-but-2-enedioic acid; 2-dimethylaminoethyl octanoate Openeye Name: 2-dimethylaminoethyl octanoate; maleic acid CAS Name: (Z)-2-butenedioic acid; octanoic acid 2-dimethylaminoethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-dimethylaminoethyl octanoate Traditional Name: caprylic acid 2-dimethylaminoethyl ester; maleic acid Formula: C16H29NO6 MolecularWeight: 331.40456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCCN(C)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C12H25NO2.C4H4O4/c1-4-5-6-7-8-9-12(14)15-11-10-13(2)3;5-3(6)1-2-4(7)8/h4-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-