2-(2-deuteriooctan-2-yloxycarbonyl)benzoic acid

Systemtic Name: 2-(2-deuteriooctan-2-yloxycarbonyl)benzoic acid Openeye Name: 2-(1-deuterio-1-methyl-heptoxy)carbonylbenzoic acid CAS Name: 2-[2-deuteriooctan-2-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(2-deuteriooctan-2-yloxycarbonyl)benzoic acid Traditional Name: 2-(1-deuterio-1-methyl-heptoxy)carbonylbenzoic acid Formula: C16H22O4 MolecularWeight: 279.349642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

[2H]C(C)(CCCCCC)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H22O4/c1-3-4-5-6-9-12(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)/i12D