calcium 6-hexyl-2-oxidanyl-3-(phenylcarbonyl)-1H-quinolin-4-one

Systemtic Name: calcium 6-hexyl-2-oxidanyl-3-(phenylcarbonyl)-1H-quinolin-4-one Openeye Name: calcium 3-benzoyl-6-hexyl-2-hydroxy-1H-quinolin-4-one CAS Name: calcium 3-benzoyl-6-hexyl-2-hydroxy-1H-quinolin-4-one IUPAC Name: calcium 3-benzoyl-6-hexyl-2-hydroxy-1H-quinolin-4-one Traditional Name: calcium 3-benzoyl-6-hexyl-2-hydroxy-4-quinolone Formula: C44H46CaN2O6+2 MolecularWeight: 738.92384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)C3=CC=CC=C3)O.CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)C3=CC=CC=C3)O.[Ca+2]

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)C3=CC=CC=C3)O.CCCCCCC1=CC2=C(C=C1)NC(=C(C2=O)C(=O)C3=CC=CC=C3)O.[Ca+2]

InChI

InChI=1S/2C22H23NO3.Ca/c2*1-2-3-4-6-9-15-12-13-18-17(14-15)21(25)19(22(26)23-18)20(24)16-10-7-5-8-11-16;/h2*5,7-8,10-14H,2-4,6,9H2,1H3,(H2,23,25,26);/q;;+2