3-heptan-3-yloxycarbonylbenzoic acid

Systemtic Name: 3-heptan-3-yloxycarbonylbenzoic acid Openeye Name: 3-(1-ethylpentoxycarbonyl)benzoic acid CAS Name: 3-[heptan-3-yloxy(oxo)methyl]benzoic acid IUPAC Name: 3-heptan-3-yloxycarbonylbenzoic acid Traditional Name: 3-(1-ethylpentoxycarbonyl)benzoic acid Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)OC(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C15H20O4/c1-3-5-9-13(4-2)19-15(18)12-8-6-7-11(10-12)14(16)17/h6-8,10,13H,3-5,9H2,1-2H3,(H,16,17)