3-icosyl-2-oxidanyl-naphthalene-1-carboxylate

Systemtic Name: 3-icosyl-2-oxidanyl-naphthalene-1-carboxylate Openeye Name: 2-hydroxy-3-icosyl-naphthalene-1-carboxylate CAS Name: 3-eicosyl-2-hydroxy-1-naphthalenecarboxylate IUPAC Name: 2-hydroxy-3-icosylnaphthalene-1-carboxylate Traditional Name: 3-arachyl-2-hydroxy-1-naphthoate Formula: C31H47O3- MolecularWeight: 467.70308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

InChI

InChI=1S/C31H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-25-26-22-20-21-24-28(26)29(30(27)32)31(33)34/h20-22,24-25,32H,2-19,23H2,1H3,(H,33,34)/p-1