calcium 2-methyl-2-(3-pentadecylphenoxy)propanoate

Systemtic Name: calcium 2-methyl-2-(3-pentadecylphenoxy)propanoate Openeye Name: calcium 2-methyl-2-(3-pentadecylphenoxy)propanoate CAS Name: calcium 2-methyl-2-(3-pentadecylphenoxy)propanoate IUPAC Name: calcium 2-methyl-2-(3-pentadecylphenoxy)propanoate Traditional Name: calcium 2-methyl-2-(3-pentadecylphenoxy)propionate Formula: C25H41CaO3+ MolecularWeight: 429.66924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C25H42O3.Ca/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-25(2,3)24(26)27;/h17,19-21H,4-16,18H2,1-3H3,(H,26,27);/q;+2/p-1