3-heptoxycarbonyl-2-(3-methylpentan-2-yl)benzoic acid

Systemtic Name: 3-heptoxycarbonyl-2-(3-methylpentan-2-yl)benzoic acid Openeye Name: 2-(1,2-dimethylbutyl)-3-heptoxycarbonyl-benzoic acid CAS Name: 3-[heptoxy(oxo)methyl]-2-(3-methylpentan-2-yl)benzoic acid IUPAC Name: 3-heptoxycarbonyl-2-(3-methylpentan-2-yl)benzoic acid Traditional Name: 2-(1,2-dimethylbutyl)-3-heptoxycarbonyl-benzoic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC(=C1C(C)C(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC(=C1C(C)C(C)CC)C(=O)O

InChI

InChI=1S/C21H32O4/c1-5-7-8-9-10-14-25-21(24)18-13-11-12-17(20(22)23)19(18)16(4)15(3)6-2/h11-13,15-16H,5-10,14H2,1-4H3,(H,22,23)