[3-acetyloxy-4,6-bis[2-(bromomethyl)-5-tert-butyl-3-methyl-phenyl]-5-methoxy-5-oxidanylidene-benzo[b]phosphindol-7-yl] ethanoate

Systemtic Name: [3-acetyloxy-4,6-bis[2-(bromomethyl)-5-tert-butyl-3-methyl-phenyl]-5-methoxy-5-oxidanylidene-benzo[b]phosphindol-7-yl] ethanoate Openeye Name: [3-acetoxy-4,6-bis[2-(bromomethyl)-5-tert-butyl-3-methyl-phenyl]-5-methoxy-5-oxo-benzo[b]phosphindol-7-yl] acetate CAS Name: acetic acid [3-acetyloxy-4,6-bis[2-(bromomethyl)-5-tert-butyl-3-methylphenyl]-5-methoxy-5-oxo-7-benzo[b]phosphindolyl] ester IUPAC Name: [3-acetyloxy-4,6-bis[2-(bromomethyl)-5-tert-butyl-3-methylphenyl]-5-methoxy-5-oxobenzo[b]phosphindol-7-yl] acetate Traditional Name: acetic acid [3-acetoxy-4,6-bis[2-(bromomethyl)-5-tert-butyl-3-methyl-phenyl]-5-keto-5-methoxy-benzo[b]phosphindol-7-yl] ester Formula: C41H45Br2O6P MolecularWeight: 824.574161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C2=C(C=CC3=C2P(=O)(C4=C3C=CC(=C4C5=CC(=CC(=C5CBr)C)C(C)(C)C)OC(=O)C)OC)OC(=O)C)CBr

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C2=C(C=CC3=C2P(=O)(C4=C3C=CC(=C4C5=CC(=CC(=C5CBr)C)C(C)(C)C)OC(=O)C)OC)OC(=O)C)CBr

InChI

InChI=1S/C41H45Br2O6P/c1-22-16-26(40(5,6)7)18-30(32(22)20-42)36-34(48-24(3)44)14-12-28-29-13-15-35(49-25(4)45)37(39(29)50(46,47-11)38(28)36)31-19-27(41(8,9)10)17-23(2)33(31)21-43/h12-19H,20-21H2,1-11H3