calcium 2-dodecylphenolate carbonate

Systemtic Name: calcium 2-dodecylphenolate carbonate Openeye Name: calcium 2-dodecylphenolate carbonate CAS Name: calcium 2-dodecylphenolate carbonate IUPAC Name: calcium 2-dodecylphenolate carbonate Traditional Name: calcium 2-laurylphenolate carbonate Formula: C19H29CaO4- MolecularWeight: 361.50916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O.CH2O3.Ca/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;2-1(3)4;/h12-13,15-16,19H,2-11,14H2,1H3;(H2,2,3,4);/q;;+2/p-3