bromanylmethane; 9-(hydroxymethyl)xanthene-9-carboxylate

Systemtic Name: bromanylmethane; 9-(hydroxymethyl)xanthene-9-carboxylate Openeye Name: bromomethane; 9-(hydroxymethyl)xanthene-9-carboxylate CAS Name: bromomethane; 9-(hydroxymethyl)-9-xanthenecarboxylate IUPAC Name: bromomethane; 9-(hydroxymethyl)xanthene-9-carboxylate Traditional Name: bromomethane; 9-methylolxanthene-9-carboxylate Formula: C16H14BrO4- MolecularWeight: 350.18396

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Descriptors Computed from Structure

Canonical SMILES:

CBr.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)(CO)C(=O)[O-]

Isomeric SMILES

CBr.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)(CO)C(=O)[O-]

InChI

InChI=1S/C15H12O4.CH3Br/c16-9-15(14(17)18)10-5-1-3-7-12(10)19-13-8-4-2-6-11(13)15;1-2/h1-8,16H,9H2,(H,17,18);1H3/p-1