2-(hydroxymethyl)-3-methyl-1-oxidanyl-xanthen-9-one

Systemtic Name: 2-(hydroxymethyl)-3-methyl-1-oxidanyl-xanthen-9-one Openeye Name: 1-hydroxy-2-(hydroxymethyl)-3-methyl-xanthen-9-one CAS Name: 1-hydroxy-2-(hydroxymethyl)-3-methyl-9-xanthenone IUPAC Name: 1-hydroxy-2-(hydroxymethyl)-3-methylxanthen-9-one Traditional Name: 1-hydroxy-3-methyl-2-methylol-xanthone Formula: C15H12O4 MolecularWeight: 256.25338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1CO)O)C(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC1=CC2=C(C(=C1CO)O)C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C15H12O4/c1-8-6-12-13(15(18)10(8)7-16)14(17)9-4-2-3-5-11(9)19-12/h2-6,16,18H,7H2,1H3