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

Systemtic Name: [2,3-bis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphonic acid Openeye Name: [2,3-bis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphonic acid CAS Name: [2,3-bis(2,4-ditert-butylphenyl)-1-biphenylenyl]phosphonic acid IUPAC Name: [2,3-bis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphonic acid Traditional Name: [2,3-bis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphonic acid Formula: C40H49O3P MolecularWeight: 608.789021

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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)C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)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)C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C40H49O3P/c1-37(2,3)24-17-19-27(32(21-24)39(7,8)9)31-23-30-26-15-13-14-16-28(26)34(30)36(44(41,42)43)35(31)29-20-18-25(38(4,5)6)22-33(29)40(10,11)12/h13-23H,1-12H3,(H2,41,42,43)