[2,3-bis(2,4-ditert-butyl-4-methyl-cyclohexa-2,5-dien-1-yl)phenyl]phosphonous acid

Systemtic Name: [2,3-bis(2,4-ditert-butyl-4-methyl-cyclohexa-2,5-dien-1-yl)phenyl]phosphonous acid Openeye Name: [2,3-bis(2,4-ditert-butyl-4-methyl-cyclohexa-2,5-dien-1-yl)phenyl]phosphonous acid CAS Name: [2,3-bis(2,4-ditert-butyl-4-methyl-1-cyclohexa-2,5-dienyl)phenyl]phosphonous acid IUPAC Name: [2,3-bis(2,4-ditert-butyl-4-methylcyclohexa-2,5-dien-1-yl)phenyl]phosphonous acid Traditional Name: [2,3-bis(2,4-ditert-butyl-4-methyl-cyclohexa-2,5-dien-1-yl)phenyl]phosphonous acid Formula: C36H55O2P MolecularWeight: 550.794461

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C(=C1)C(C)(C)C)C2=C(C(=CC=C2)P(O)O)C3C=CC(C=C3C(C)(C)C)(C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1(C=CC(C(=C1)C(C)(C)C)C2=C(C(=CC=C2)P(O)O)C3C=CC(C=C3C(C)(C)C)(C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C36H55O2P/c1-31(2,3)27-22-35(13,33(7,8)9)20-18-24(27)25-16-15-17-29(39(37)38)30(25)26-19-21-36(14,34(10,11)12)23-28(26)32(4,5)6/h15-24,26,37-38H,1-14H3