bromanylmethane; [(Z)-3-oxidanyl-2-phenyl-prop-2-enyl] (9-oxidanylxanthen-9-yl) carbonate

Systemtic Name: bromanylmethane; [(Z)-3-oxidanyl-2-phenyl-prop-2-enyl] (9-oxidanylxanthen-9-yl) carbonate Openeye Name: bromomethane; [(Z)-3-hydroxy-2-phenyl-allyl] (9-hydroxyxanthen-9-yl) carbonate CAS Name: bromomethane; carbonic acid [(Z)-3-hydroxy-2-phenylprop-2-enyl] (9-hydroxy-9-xanthenyl) ester IUPAC Name: bromomethane; [(Z)-3-hydroxy-2-phenylprop-2-enyl] (9-hydroxyxanthen-9-yl) carbonate Traditional Name: bromomethane; carbonic acid [(Z)-3-hydroxy-2-phenyl-allyl] (9-hydroxyxanthen-9-yl) ester Formula: C24H21BrO6 MolecularWeight: 485.32394

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Descriptors Computed from Structure

Canonical SMILES:

CBr.C1=CC=C(C=C1)C(=CO)COC(=O)OC2(C3=CC=CC=C3OC4=CC=CC=C42)O

Isomeric SMILES

CBr.C1=CC=C(C=C1)/C(=C/O)/COC(=O)OC2(C3=CC=CC=C3OC4=CC=CC=C42)O

InChI

InChI=1S/C23H18O6.CH3Br/c24-14-17(16-8-2-1-3-9-16)15-27-22(25)29-23(26)18-10-4-6-12-20(18)28-21-13-7-5-11-19(21)23;1-2/h1-14,24,26H,15H2;1H3/b17-14+;