(E)-but-2-enedioic acid; 3-(2-ethylhexoxymethyl)heptane

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-ethylhexoxymethyl)heptane Openeye Name: 3-(2-ethylhexoxymethyl)heptane; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-ethylhexoxymethyl)heptane IUPAC Name: (E)-but-2-enedioic acid; 3-(2-ethylhexoxymethyl)heptane Traditional Name: 3-(2-ethylhexoxymethyl)heptane; fumaric acid Formula: C20H38O5 MolecularWeight: 358.51272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CC)CCCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)COCC(CC)CCCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H34O.C4H4O4/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;5-3(6)1-2-4(7)8/h15-16H,5-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+