sodium 2-octan-3-yloxycarbonylbenzoate

Systemtic Name: sodium 2-octan-3-yloxycarbonylbenzoate Openeye Name: sodium 2-(1-ethylhexoxycarbonyl)benzoate CAS Name: sodium 2-[octan-3-yloxy(oxo)methyl]benzoate IUPAC Name: sodium 2-octan-3-yloxycarbonylbenzoate Traditional Name: sodium 2-(1-ethylhexoxycarbonyl)benzoate Formula: C16H21NaO4 MolecularWeight: 300.32531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(CC)OC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]

InChI

InChI=1S/C16H22O4.Na/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);/q;+1/p-1