calcium 5-hexadecyl-2-oxidanyl-benzoate

Systemtic Name: calcium 5-hexadecyl-2-oxidanyl-benzoate Openeye Name: calcium 5-hexadecyl-2-hydroxy-benzoate CAS Name: calcium 5-hexadecyl-2-hydroxybenzoate IUPAC Name: calcium 5-hexadecyl-2-hydroxybenzoate Traditional Name: calcium 5-cetyl-2-hydroxy-benzoate Formula: C46H74CaO6 MolecularWeight: 763.15416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)[O-].CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)[O-].CCCCCCCCCCCCCCCCC1=CC(=C(C=C1)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C23H38O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26;/h2*17-19,24H,2-16H2,1H3,(H,25,26);/q;;+2/p-2