(Z)-2-(2-ethylhexyl)-3-pentyl-but-2-enedioic acid

Systemtic Name: (Z)-2-(2-ethylhexyl)-3-pentyl-but-2-enedioic acid Openeye Name: (Z)-2-(2-ethylhexyl)-3-pentyl-but-2-enedioic acid CAS Name: (Z)-2-(2-ethylhexyl)-3-pentyl-2-butenedioic acid IUPAC Name: (Z)-2-(2-ethylhexyl)-3-pentylbut-2-enedioic acid Traditional Name: (Z)-2-amyl-3-(2-ethylhexyl)but-2-enedioic acid Formula: C17H30O4 MolecularWeight: 298.4177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C(CC(CC)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H30O4/c1-4-7-9-11-14(16(18)19)15(17(20)21)12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3,(H,18,19)(H,20,21)/b15-14-