5-octyl-2-pentoxycarbonyl-benzoic acid

Systemtic Name: 5-octyl-2-pentoxycarbonyl-benzoic acid Openeye Name: 5-octyl-2-pentoxycarbonyl-benzoic acid CAS Name: 5-octyl-2-[oxo(pentoxy)methyl]benzoic acid IUPAC Name: 5-octyl-2-pentoxycarbonylbenzoic acid Traditional Name: 2-amoxycarbonyl-5-octyl-benzoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-3-5-7-8-9-10-12-17-13-14-18(19(16-17)20(22)23)21(24)25-15-11-6-4-2/h13-14,16H,3-12,15H2,1-2H3,(H,22,23)