5-octyl-2-propoxycarbonyl-benzoic acid

Systemtic Name: 5-octyl-2-propoxycarbonyl-benzoic acid Openeye Name: 5-octyl-2-propoxycarbonyl-benzoic acid CAS Name: 5-octyl-2-[oxo(propoxy)methyl]benzoic acid IUPAC Name: 5-octyl-2-propoxycarbonylbenzoic acid Traditional Name: 5-octyl-2-propoxycarbonyl-benzoic acid Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4/c1-3-5-6-7-8-9-10-15-11-12-16(17(14-15)18(20)21)19(22)23-13-4-2/h11-12,14H,3-10,13H2,1-2H3,(H,20,21)