chromium(2+); 2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol

Systemtic Name: chromium(2+); 2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol Openeye Name: trichromous 2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol CAS Name: chromium(2+); 2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol IUPAC Name: chromium(2+); 2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol Traditional Name: trichromous 2,6-ditert-butyl-3-hexyl-4-(phosphonatomethyl)phenol Formula: C63H105Cr3O12P3 MolecularWeight: 1303.410183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Cr+2].[Cr+2].[Cr+2]

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.CCCCCCC1=C(C(=C(C=C1CP(=O)([O-])[O-])C(C)(C)C)O)C(C)(C)C.[Cr+2].[Cr+2].[Cr+2]

InChI

InChI=1S/3C21H37O4P.3Cr/c3*1-8-9-10-11-12-16-15(14-26(23,24)25)13-17(20(2,3)4)19(22)18(16)21(5,6)7;;;/h3*13,22H,8-12,14H2,1-7H3,(H2,23,24,25);;;/q;;;3*+2/p-6