1,4-dibutoxy-3-ethoxycarbonyl-naphthalene-2-carboxylate

Systemtic Name: 1,4-dibutoxy-3-ethoxycarbonyl-naphthalene-2-carboxylate Openeye Name: 1,4-dibutoxy-3-ethoxycarbonyl-naphthalene-2-carboxylate CAS Name: 1,4-dibutoxy-3-ethoxycarbonyl-2-naphthalenecarboxylate IUPAC Name: 1,4-dibutoxy-3-ethoxycarbonylnaphthalene-2-carboxylate Traditional Name: 1,4-dibutoxy-3-carbethoxy-2-naphthoate Formula: C22H27O6- MolecularWeight: 387.44618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=CC=CC=C21)OCCCC)C(=O)OCC)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C(=C(C2=CC=CC=C21)OCCCC)C(=O)OCC)C(=O)[O-]

InChI

InChI=1S/C22H28O6/c1-4-7-13-27-19-15-11-9-10-12-16(15)20(28-14-8-5-2)18(17(19)21(23)24)22(25)26-6-3/h9-12H,4-8,13-14H2,1-3H3,(H,23,24)/p-1