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calcium 3-dodecyl-2-nonyl-phenolate carbonate

calcium 3-dodecyl-2-nonyl-phenolate carbonate

Systemtic Name:calcium 3-dodecyl-2-nonyl-phenolate carbonate
Openeye Name:calcium 3-dodecyl-2-nonyl-phenolate carbonate
CAS Name:calcium 3-dodecyl-2-nonylphenolate carbonate
IUPAC Name:calcium 3-dodecyl-2-nonylphenolate carbonate
Traditional Name:calcium 3-lauryl-2-nonyl-phenolate carbonate
Formula: C28H47CaO4-
MolecularWeight: 487.74838
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)[O-])CCCCCCCCC.C(=O)([O-])[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)[O-])CCCCCCCCC.C(=O)([O-])[O-].[Ca+2]


InChI

InChI=1S/C27H48O.CH2O3.Ca/c1-3-5-7-9-11-12-13-15-16-18-21-25-22-20-24-27(28)26(25)23-19-17-14-10-8-6-4-2;2-1(3)4;/h20,22,24,28H,3-19,21,23H2,1-2H3;(H2,2,3,4);/q;;+2/p-3


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