2-(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate

Systemtic Name: 2-(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate Openeye Name: 2-(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate CAS Name: 2-(1-butyl-1-cyclohexa-2,4-dienyl)hexanedioate IUPAC Name: 2-(1-butylcyclohexa-2,4-dien-1-yl)hexanedioate Traditional Name: 2-(1-butylcyclohexa-2,4-dien-1-yl)adipate Formula: C16H22O4-2 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC=CC=C1)C(CCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1(CC=CC=C1)C(CCCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H24O4/c1-2-3-10-16(11-5-4-6-12-16)13(15(19)20)8-7-9-14(17)18/h4-6,11,13H,2-3,7-10,12H2,1H3,(H,17,18)(H,19,20)/p-2