4-icosyl-2,3-bis(oxidanyl)naphthalene-1-carboxylate

Systemtic Name: 4-icosyl-2,3-bis(oxidanyl)naphthalene-1-carboxylate Openeye Name: 2,3-dihydroxy-4-icosyl-naphthalene-1-carboxylate CAS Name: 4-eicosyl-2,3-dihydroxy-1-naphthalenecarboxylate IUPAC Name: 2,3-dihydroxy-4-icosylnaphthalene-1-carboxylate Traditional Name: 4-arachyl-2,3-dihydroxy-1-naphthoate Formula: C31H47O4- MolecularWeight: 483.70248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

InChI

InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-25-22-20-21-23-26(25)28(31(34)35)30(33)29(27)32/h20-23,32-33H,2-19,24H2,1H3,(H,34,35)/p-1