2-butoxycarbonyl-3-ethyl-6-octyl-benzoic acid

Systemtic Name: 2-butoxycarbonyl-3-ethyl-6-octyl-benzoic acid Openeye Name: 2-butoxycarbonyl-3-ethyl-6-octyl-benzoic acid CAS Name: 2-[butoxy(oxo)methyl]-3-ethyl-6-octylbenzoic acid IUPAC Name: 2-butoxycarbonyl-3-ethyl-6-octylbenzoic acid Traditional Name: 2-butoxycarbonyl-3-ethyl-6-octyl-benzoic acid Formula: C22H34O4 MolecularWeight: 362.50296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)CC)C(=O)OCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)CC)C(=O)OCCCC)C(=O)O

InChI

InChI=1S/C22H34O4/c1-4-7-9-10-11-12-13-18-15-14-17(6-3)20(19(18)21(23)24)22(25)26-16-8-5-2/h14-15H,4-13,16H2,1-3H3,(H,23,24)