4-(3-octan-2-yloxypropyl)benzoic acid

Systemtic Name: 4-(3-octan-2-yloxypropyl)benzoic acid Openeye Name: 4-[3-(1-methylheptoxy)propyl]benzoic acid CAS Name: 4-(3-octan-2-yloxypropyl)benzoic acid IUPAC Name: 4-(3-octan-2-yloxypropyl)benzoic acid Traditional Name: 4-[3-(1-methylheptoxy)propyl]benzoic acid Formula: C18H28O3 MolecularWeight: 292.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCC(C)OCCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H28O3/c1-3-4-5-6-8-15(2)21-14-7-9-16-10-12-17(13-11-16)18(19)20/h10-13,15H,3-9,14H2,1-2H3,(H,19,20)