tricalcium 2,6-bis[[methyl-[(2-oxidanidylphenyl)methyl]amino]methyl]phenolate trihydroxide

Systemtic Name: tricalcium 2,6-bis[[methyl-[(2-oxidanidylphenyl)methyl]amino]methyl]phenolate trihydroxide Openeye Name: tricalcium 2,6-bis[[methyl-[(2-oxidophenyl)methyl]amino]methyl]phenolate trihydroxide CAS Name: tricalcium 2,6-bis[[methyl-[(2-oxidophenyl)methyl]amino]methyl]phenolate trihydroxide IUPAC Name: tricalcium 2,6-bis[[methyl-[(2-oxidophenyl)methyl]amino]methyl]phenolate trihydroxide Traditional Name: tricalcium 2,6-bis[[methyl-(2-oxidobenzyl)amino]methyl]phenolate trihydroxide Formula: C24H28Ca3N2O6 MolecularWeight: 560.72292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC=C1)CN(C)CC2=CC=CC=C2[O-])[O-])CC3=CC=CC=C3[O-].[OH-].[OH-].[OH-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CN(CC1=C(C(=CC=C1)CN(C)CC2=CC=CC=C2[O-])[O-])CC3=CC=CC=C3[O-].[OH-].[OH-].[OH-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C24H28N2O3.3Ca.3H2O/c1-25(14-18-8-3-5-12-22(18)27)16-20-10-7-11-21(24(20)29)17-26(2)15-19-9-4-6-13-23(19)28;;;;;;/h3-13,27-29H,14-17H2,1-2H3;;;;3*1H2/q;3*+2;;;/p-6