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2-octan-3-yloxycarbonylbenzoic acid

2-octan-3-yloxycarbonylbenzoic acid

Systemtic Name:2-octan-3-yloxycarbonylbenzoic acid
Openeye Name:2-(1-ethylhexoxycarbonyl)benzoic acid
CAS Name:2-[octan-3-yloxy(oxo)methyl]benzoic acid
IUPAC Name:2-octan-3-yloxycarbonylbenzoic acid
Traditional Name:2-(1-ethylhexoxycarbonyl)benzoic acid
Formula: C16H22O4
MolecularWeight: 278.34348
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(=O)O


Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(=O)O


InChI

InChI=1S/C16H22O4/c1-3-5-6-9-12(4-2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)


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