calcium 2-(3-phenoxyphenyl)propanoate dihydrate

Systemtic Name: calcium 2-(3-phenoxyphenyl)propanoate dihydrate Openeye Name: calcium 2-(3-phenoxyphenyl)propanoate dihydrate CAS Name: calcium 2-(3-phenoxyphenyl)propanoate dihydrate IUPAC Name: calcium 2-(3-phenoxyphenyl)propanoate dihydrate Traditional Name: calcium 2-(3-phenoxyphenyl)propionate dihydrate Formula: C30H30CaO8 MolecularWeight: 558.6324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2]

InChI

InChI=1S/2C15H14O3.Ca.2H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;/h2*2-11H,1H3,(H,16,17);;2*1H2/q;;+2;;/p-2