barium(2+); bis(4-methylphenyl) phosphate

Systemtic Name: barium(2+); bis(4-methylphenyl) phosphate Openeye Name: barium(2+); bis-p-tolyl phosphate CAS Name: barium(2+); bis(4-methylphenyl) phosphate IUPAC Name: barium(2+); bis(4-methylphenyl) phosphate Traditional Name: barium(2+); bis-p-tolyl phosphate Formula: C28H28BaO8P2 MolecularWeight: 691.791642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C.CC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C.[Ba+2]

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C.CC1=CC=C(C=C1)OP(=O)([O-])OC2=CC=C(C=C2)C.[Ba+2]

InChI

InChI=1S/2C14H15O4P.Ba/c2*1-11-3-7-13(8-4-11)17-19(15,16)18-14-9-5-12(2)6-10-14;/h2*3-10H,1-2H3,(H,15,16);/q;;+2/p-2