3-methyloctan-3-yl 6-methanoylnaphthalene-2-carboxylate

Systemtic Name: 3-methyloctan-3-yl 6-methanoylnaphthalene-2-carboxylate Openeye Name: (1-ethyl-1-methyl-hexyl) 6-formylnaphthalene-2-carboxylate CAS Name: 6-formyl-2-naphthalenecarboxylic acid 3-methyloctan-3-yl ester IUPAC Name: 3-methyloctan-3-yl 6-formylnaphthalene-2-carboxylate Traditional Name: 6-formylnaphthalene-2-carboxylic acid (1-ethyl-1-methyl-hexyl) ester Formula: C21H26O3 MolecularWeight: 326.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CC)OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C=O

Isomeric SMILES

CCCCCC(C)(CC)OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C=O

InChI

InChI=1S/C21H26O3/c1-4-6-7-12-21(3,5-2)24-20(23)19-11-10-17-13-16(15-22)8-9-18(17)14-19/h8-11,13-15H,4-7,12H2,1-3H3