2-heptyl-6-(3-methylbutoxycarbonyl)benzoic acid

Systemtic Name: 2-heptyl-6-(3-methylbutoxycarbonyl)benzoic acid Openeye Name: 2-heptyl-6-isopentyloxycarbonyl-benzoic acid CAS Name: 2-heptyl-6-[3-methylbutoxy(oxo)methyl]benzoic acid IUPAC Name: 2-heptyl-6-(3-methylbutoxycarbonyl)benzoic acid Traditional Name: 2-heptyl-6-isoamoxycarbonyl-benzoic acid Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC(=C1C(=O)O)C(=O)OCCC(C)C

Isomeric SMILES

CCCCCCCC1=CC=CC(=C1C(=O)O)C(=O)OCCC(C)C

InChI

InChI=1S/C20H30O4/c1-4-5-6-7-8-10-16-11-9-12-17(18(16)19(21)22)20(23)24-14-13-15(2)3/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H,21,22)