barium(2+); 4-tert-butyl-6-oxidanidyl-2-(1-phenylethyl)benzo[c][1,2]benzoxaphosphinine 6-oxide

Systemtic Name: barium(2+); 4-tert-butyl-6-oxidanidyl-2-(1-phenylethyl)benzo[c][1,2]benzoxaphosphinine 6-oxide Openeye Name: barium(2+); 4-tert-butyl-6-oxido-2-(1-phenylethyl)benzo[c][1,2]benzoxaphosphinine 6-oxide CAS Name: barium(2+); 4-tert-butyl-6-oxido-2-(1-phenylethyl)benzo[c][1,2]benzoxaphosphorin 6-oxide IUPAC Name: barium(2+); 4-tert-butyl-6-oxido-2-(1-phenylethyl)benzo[c][1,2]benzoxaphosphinine 6-oxide Traditional Name: barium(2+); 4-tert-butyl-6-oxido-2-(1-phenylethyl)benzo[c][1,2]benzoxaphosphorin 6-oxide Formula: C48H48BaO6P2 MolecularWeight: 920.165642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C3C(=C2)C4=CC=CC=C4P(=O)(O3)[O-])C(C)(C)C.CC(C1=CC=CC=C1)C2=CC(=C3C(=C2)C4=CC=CC=C4P(=O)(O3)[O-])C(C)(C)C.[Ba+2]

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C3C(=C2)C4=CC=CC=C4P(=O)(O3)[O-])C(C)(C)C.CC(C1=CC=CC=C1)C2=CC(=C3C(=C2)C4=CC=CC=C4P(=O)(O3)[O-])C(C)(C)C.[Ba+2]

InChI

InChI=1S/2C24H25O3P.Ba/c2*1-16(17-10-6-5-7-11-17)18-14-20-19-12-8-9-13-22(19)28(25,26)27-23(20)21(15-18)24(2,3)4;/h2*5-16H,1-4H3,(H,25,26);/q;;+2/p-2