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2-(6-methylheptoxycarbonyl)benzoic acid

2-(6-methylheptoxycarbonyl)benzoic acid

Systemtic Name:2-(6-methylheptoxycarbonyl)benzoic acid
Openeye Name:2-(6-methylheptoxycarbonyl)benzoic acid
CAS Name:2-[6-methylheptoxy(oxo)methyl]benzoic acid
IUPAC Name:2-(6-methylheptoxycarbonyl)benzoic acid
Traditional Name:2-(6-methylheptoxycarbonyl)benzoic acid
Formula: C16H22O4
MolecularWeight: 278.34348
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H22O4/c1-12(2)8-4-3-7-11-20-16(19)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,18)


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