3-(3-diphenylphosphanyl-5-methyl-phenyl)-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-(3-diphenylphosphanyl-5-methyl-phenyl)-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-(3-diphenylphosphanyl-5-methyl-phenyl)-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-(3-diphenylphosphino-5-methylphenyl)-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-(3-diphenylphosphanyl-5-methylphenyl)-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-(3-diphenylphosphino-5-methyl-phenyl)-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C28H29OP MolecularWeight: 412.503021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C(=O)CCC2(C)C)C)P(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C(=O)CCC2(C)C)C)P(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29OP/c1-20-17-22(27-21(2)26(29)15-16-28(27,3)4)19-25(18-20)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,17-19H,15-16H2,1-4H3