(Z)-2-octan-3-ylbut-2-enedioic acid

Systemtic Name: (Z)-2-octan-3-ylbut-2-enedioic acid Openeye Name: (Z)-2-(1-ethylhexyl)but-2-enedioic acid CAS Name: (Z)-2-octan-3-yl-2-butenedioic acid IUPAC Name: (Z)-2-octan-3-ylbut-2-enedioic acid Traditional Name: (Z)-2-(1-ethylhexyl)but-2-enedioic acid Formula: C12H20O4 MolecularWeight: 228.2848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(CC)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C12H20O4/c1-3-5-6-7-9(4-2)10(12(15)16)8-11(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)(H,15,16)/b10-8-