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calcium 2-[(2,3-dimethylphenyl)amino]benzoate

calcium 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name:calcium 2-[(2,3-dimethylphenyl)amino]benzoate
Openeye Name:calcium 2-(2,3-dimethylanilino)benzoate
CAS Name:calcium 2-(2,3-dimethylanilino)benzoate
IUPAC Name:calcium 2-(2,3-dimethylanilino)benzoate
Traditional Name:calcium 2-(2,3-dimethylanilino)benzoate
Formula: C30H28CaN2O4
MolecularWeight: 520.63232
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.[Ca+2]


Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)[O-])C.[Ca+2]


InChI

InChI=1S/2C15H15NO2.Ca/c2*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;/h2*3-9,16H,1-2H3,(H,17,18);/q;;+2/p-2


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