3-hexadecyl-2-oxidanyl-naphthalene-1-carboxylate

Systemtic Name: 3-hexadecyl-2-oxidanyl-naphthalene-1-carboxylate Openeye Name: 3-hexadecyl-2-hydroxy-naphthalene-1-carboxylate CAS Name: 3-hexadecyl-2-hydroxy-1-naphthalenecarboxylate IUPAC Name: 3-hexadecyl-2-hydroxynaphthalene-1-carboxylate Traditional Name: 3-cetyl-2-hydroxy-1-naphthoate Formula: C27H39O3- MolecularWeight: 411.59676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

InChI

InChI=1S/C27H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-21-22-18-16-17-20-24(22)25(26(23)28)27(29)30/h16-18,20-21,28H,2-15,19H2,1H3,(H,29,30)/p-1