2-(4,4-diheptoxybutoxycarbonyl)benzoic acid

Systemtic Name: 2-(4,4-diheptoxybutoxycarbonyl)benzoic acid Openeye Name: 2-(4,4-diheptoxybutoxycarbonyl)benzoic acid CAS Name: 2-[4,4-diheptoxybutoxy(oxo)methyl]benzoic acid IUPAC Name: 2-(4,4-diheptoxybutoxycarbonyl)benzoic acid Traditional Name: 2-(4,4-diheptoxybutoxycarbonyl)benzoic acid Formula: C26H42O6 MolecularWeight: 450.60808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(CCCOC(=O)C1=CC=CC=C1C(=O)O)OCCCCCCC

Isomeric SMILES

CCCCCCCOC(CCCOC(=O)C1=CC=CC=C1C(=O)O)OCCCCCCC

InChI

InChI=1S/C26H42O6/c1-3-5-7-9-13-19-30-24(31-20-14-10-8-6-4-2)18-15-21-32-26(29)23-17-12-11-16-22(23)25(27)28/h11-12,16-17,24H,3-10,13-15,18-21H2,1-2H3,(H,27,28)