4-[4-[2,4-bis(fluoranyl)phenyl]phenyl]-2-methyl-4-oxidanylidene-butanoate; calcium

Systemtic Name: 4-[4-[2,4-bis(fluoranyl)phenyl]phenyl]-2-methyl-4-oxidanylidene-butanoate; calcium Openeye Name: calcium; 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoate CAS Name: calcium; 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate IUPAC Name: calcium; 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate Traditional Name: calcium; 4-[4-(2,4-difluorophenyl)phenyl]-4-keto-2-methyl-butyrate Formula: C17H13Ca2F2O3- MolecularWeight: 383.436126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].[Ca].[Ca]

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].[Ca].[Ca]

InChI

InChI=1S/C17H14F2O3.2Ca/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;;/h2-7,9-10H,8H2,1H3,(H,21,22);;/p-1