1-[5-(hydroxymethyl)-6-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]-2-methyl-butane-1,3-dione

Systemtic Name: 1-[5-(hydroxymethyl)-6-methyl-7,8-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]-2-methyl-butane-1,3-dione Openeye Name: 1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxo-chromen-3-yl]-2-methyl-butane-1,3-dione CAS Name: 1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxo-1-benzopyran-3-yl]-2-methylbutane-1,3-dione IUPAC Name: 1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxochromen-3-yl]-2-methylbutane-1,3-dione Traditional Name: 1-(7,8-dihydroxy-2-keto-6-methyl-5-methylol-chromen-3-yl)-2-methyl-butane-1,3-dione Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1CO)C=C(C(=O)O2)C(=O)C(C)C(=O)C)O)O

Isomeric SMILES

CC1=C(C(=C2C(=C1CO)C=C(C(=O)O2)C(=O)C(C)C(=O)C)O)O

InChI

InChI=1S/C16H16O7/c1-6(8(3)18)12(19)10-4-9-11(5-17)7(2)13(20)14(21)15(9)23-16(10)22/h4,6,17,20-21H,5H2,1-3H3