3-hexadecyl-2-oxidanyl-benzoate

Systemtic Name: 3-hexadecyl-2-oxidanyl-benzoate Openeye Name: 3-hexadecyl-2-hydroxy-benzoate CAS Name: 3-hexadecyl-2-hydroxybenzoate IUPAC Name: 3-hexadecyl-2-hydroxybenzoate Traditional Name: 3-cetyl-2-hydroxy-benzoate Formula: C23H37O3- MolecularWeight: 361.53808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(22(20)24)23(25)26/h16,18-19,24H,2-15,17H2,1H3,(H,25,26)/p-1