calcium 2-[3-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)amino]phenyl]propanoate

Systemtic Name: calcium 2-[3-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)amino]phenyl]propanoate Openeye Name: calcium 2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]phenyl]propanoate CAS Name: calcium 2-[3-[(7-oxo-1-cyclohepta-1,3,5-trienyl)amino]phenyl]propanoate IUPAC Name: calcium 2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]phenyl]propanoate Traditional Name: calcium 2-[3-[(7-ketocyclohepta-1,3,5-trien-1-yl)amino]phenyl]propionate Formula: C32H28CaN2O6 MolecularWeight: 576.65252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC2=CC=CC=CC2=O)C(=O)[O-].CC(C1=CC(=CC=C1)NC2=CC=CC=CC2=O)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C1=CC(=CC=C1)NC2=CC=CC=CC2=O)C(=O)[O-].CC(C1=CC(=CC=C1)NC2=CC=CC=CC2=O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H15NO3.Ca/c2*1-11(16(19)20)12-6-5-7-13(10-12)17-14-8-3-2-4-9-15(14)18;/h2*2-11H,1H3,(H,17,18)(H,19,20);/q;;+2/p-2