[3-(2,4-ditert-butylphenyl)-1-phosphono-biphenylen-2-yl]phosphonic acid

Systemtic Name: [3-(2,4-ditert-butylphenyl)-1-phosphono-biphenylen-2-yl]phosphonic acid Openeye Name: [3-(2,4-ditert-butylphenyl)-1-phosphono-biphenylen-2-yl]phosphonic acid CAS Name: [3-(2,4-ditert-butylphenyl)-1-phosphono-2-biphenylenyl]phosphonic acid IUPAC Name: [3-(2,4-ditert-butylphenyl)-1-phosphonobiphenylen-2-yl]phosphonic acid Traditional Name: [3-(2,4-ditert-butylphenyl)-1-phosphono-biphenylen-2-yl]phosphonic acid Formula: C26H30O6P2 MolecularWeight: 500.460322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C3C4=CC=CC=C4C3=C2)P(=O)(O)O)P(=O)(O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C3C4=CC=CC=C4C3=C2)P(=O)(O)O)P(=O)(O)O)C(C)(C)C

InChI

InChI=1S/C26H30O6P2/c1-25(2,3)15-11-12-17(21(13-15)26(4,5)6)20-14-19-16-9-7-8-10-18(16)22(19)24(34(30,31)32)23(20)33(27,28)29/h7-14H,1-6H3,(H2,27,28,29)(H2,30,31,32)