calcium 3-hexadecyl-2-oxidanyl-benzoate

Systemtic Name: calcium 3-hexadecyl-2-oxidanyl-benzoate Openeye Name: calcium 3-hexadecyl-2-hydroxy-benzoate CAS Name: calcium 3-hexadecyl-2-hydroxybenzoate IUPAC Name: calcium 3-hexadecyl-2-hydroxybenzoate Traditional Name: calcium 3-cetyl-2-hydroxy-benzoate Formula: C46H74CaO6 MolecularWeight: 763.15416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC(=C1O)C(=O)[O-].CCCCCCCCCCCCCCCCC1=CC=CC(=C1O)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC(=C1O)C(=O)[O-].CCCCCCCCCCCCCCCCC1=CC=CC(=C1O)C(=O)[O-].[Ca+2]

InChI

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