2-[(E)-oct-1-enyl]-3-propyl-butanedioic acid

Systemtic Name: 2-[(E)-oct-1-enyl]-3-propyl-butanedioic acid Openeye Name: 2-[(E)-oct-1-enyl]-3-propyl-butanedioic acid CAS Name: 2-[(E)-oct-1-enyl]-3-propylbutanedioic acid IUPAC Name: 2-[(E)-oct-1-enyl]-3-propylbutanedioic acid Traditional Name: 2-[(E)-oct-1-enyl]-3-propyl-succinic acid Formula: C15H26O4 MolecularWeight: 270.36454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC(C(CCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC/C=C/C(C(CCC)C(=O)O)C(=O)O

InChI

InChI=1S/C15H26O4/c1-3-5-6-7-8-9-11-13(15(18)19)12(10-4-2)14(16)17/h9,11-13H,3-8,10H2,1-2H3,(H,16,17)(H,18,19)/b11-9+