(1R,2S)-1-[[3-(1-adamantyl)-5-methyl-2-oxidanidyl-phenyl]methylideneamino]-2,3-dihydro-1H-inden-2-olate; chromium(3+); chloride

Systemtic Name: (1R,2S)-1-[[3-(1-adamantyl)-5-methyl-2-oxidanidyl-phenyl]methylideneamino]-2,3-dihydro-1H-inden-2-olate; chromium(3+); chloride Openeye Name: chromic (1R,2S)-1-[[3-(1-adamantyl)-5-methyl-2-oxido-phenyl]methyleneamino]indan-2-olate chloride CAS Name: (1R,2S)-1-[[3-(1-adamantyl)-5-methyl-2-oxidophenyl]methylideneamino]-2,3-dihydro-1H-inden-2-olate; chromium(3+); chloride IUPAC Name: (1R,2S)-1-[[3-(1-adamantyl)-5-methyl-2-oxidophenyl]methylideneamino]-2,3-dihydro-1H-inden-2-olate; chromium(3+); chloride Traditional Name: chromic (1R,2S)-1-[[3-(1-adamantyl)-5-methyl-2-oxido-benzylidene]amino]indan-2-olate chloride Formula: C27H29ClCrNO2 MolecularWeight: 486.97376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2C(CC3=CC=CC=C23)[O-])[O-])C45CC6CC(C4)CC(C6)C5.[Cl-].[Cr+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=N[C@H]2[C@H](CC3=CC=CC=C23)[O-])[O-])C45CC6CC(C4)CC(C6)C5.[Cl-].[Cr+3]

InChI

InChI=1S/C27H30NO2.ClH.Cr/c1-16-6-21(15-28-25-22-5-3-2-4-20(22)11-24(25)29)26(30)23(7-16)27-12-17-8-18(13-27)10-19(9-17)14-27;;/h2-7,15,17-19,24-25,30H,8-14H2,1H3;1H;/q-1;;+3/p-2/t17?,18?,19?,24-,25+,27?;;/m0../s1