4-(3-ethyloctan-3-yloxycarbonyl)benzoate

Systemtic Name: 4-(3-ethyloctan-3-yloxycarbonyl)benzoate Openeye Name: 4-(1,1-diethylhexoxycarbonyl)benzoate CAS Name: 4-[3-ethyloctan-3-yloxy(oxo)methyl]benzoate IUPAC Name: 4-(3-ethyloctan-3-yloxycarbonyl)benzoate Traditional Name: 4-(1,1-diethylhexoxycarbonyl)benzoate Formula: C18H25O4- MolecularWeight: 305.3887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)OC(=O)C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)(CC)OC(=O)C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H26O4/c1-4-7-8-13-18(5-2,6-3)22-17(21)15-11-9-14(10-12-15)16(19)20/h9-12H,4-8,13H2,1-3H3,(H,19,20)/p-1