5-bromanyl-6-decoxy-1-propyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-bromanyl-6-decoxy-1-propyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5-bromo-6-decoxy-1-propyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5-bromo-6-decoxy-1-propyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5-bromo-6-decoxy-1-propylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5-bromo-6-decoxy-1-propyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C20H33BrO3 MolecularWeight: 401.37822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1C(=CC=CC1(CCC)C(=O)O)Br

Isomeric SMILES

CCCCCCCCCCOC1C(=CC=CC1(CCC)C(=O)O)Br

InChI

InChI=1S/C20H33BrO3/c1-3-5-6-7-8-9-10-11-16-24-18-17(21)13-12-15-20(18,14-4-2)19(22)23/h12-13,15,18H,3-11,14,16H2,1-2H3,(H,22,23)