barium(2+); (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-phenoxy-phosphinate

Systemtic Name: barium(2+); (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-phenoxy-phosphinate Openeye Name: barium(2+); (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-phenoxy-phosphinate CAS Name: barium(2+); (3,5-ditert-butyl-4-hydroxyphenyl)methyl-phenoxyphosphinate IUPAC Name: barium(2+); (3,5-ditert-butyl-4-hydroxyphenyl)methyl-phenoxyphosphinate Traditional Name: barium(2+); (3,5-ditert-butyl-4-hydroxy-benzyl)-phenoxy-phosphinate Formula: C42H56BaO8P2 MolecularWeight: 888.163762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])OC2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])OC2=CC=CC=C2.[Ba+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])OC2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CP(=O)([O-])OC2=CC=CC=C2.[Ba+2]

InChI

InChI=1S/2C21H29O4P.Ba/c2*1-20(2,3)17-12-15(13-18(19(17)22)21(4,5)6)14-26(23,24)25-16-10-8-7-9-11-16;/h2*7-13,22H,14H2,1-6H3,(H,23,24);/q;;+2/p-2