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

Systemtic Name: 3-ethyl-2-heptoxycarbonyl-6-octyl-benzoic acid Openeye Name: 3-ethyl-2-heptoxycarbonyl-6-octyl-benzoic acid CAS Name: 3-ethyl-2-[heptoxy(oxo)methyl]-6-octylbenzoic acid IUPAC Name: 3-ethyl-2-heptoxycarbonyl-6-octylbenzoic acid Traditional Name: 3-ethyl-2-heptoxycarbonyl-6-octyl-benzoic acid Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-4-7-9-11-12-14-16-21-18-17-20(6-3)23(22(21)24(26)27)25(28)29-19-15-13-10-8-5-2/h17-18H,4-16,19H2,1-3H3,(H,26,27)