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calcium 2-hexadecylphenolate

calcium 2-hexadecylphenolate

Systemtic Name:calcium 2-hexadecylphenolate
Openeye Name:calcium 2-hexadecylphenolate
CAS Name:calcium 2-hexadecylphenolate
IUPAC Name:calcium 2-hexadecylphenolate
Traditional Name:calcium 2-cetylphenolate
Formula: C44H74CaO2
MolecularWeight: 675.13516
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C22H38O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)23;/h2*16-17,19-20,23H,2-15,18H2,1H3;/q;;+2/p-2


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