butane-1,1-diol; 2-methyl-3-oxidanyl-pyran-4-one

Systemtic Name: butane-1,1-diol; 2-methyl-3-oxidanyl-pyran-4-one Openeye Name: butane-1,1-diol; 3-hydroxy-2-methyl-pyran-4-one CAS Name: butane-1,1-diol; 3-hydroxy-2-methyl-4-pyranone IUPAC Name: butane-1,1-diol; 3-hydroxy-2-methylpyran-4-one Traditional Name: butane-1,1-diol; 3-hydroxy-2-methyl-pyran-4-one Formula: C10H16O5 MolecularWeight: 216.23104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(O)O.CC1=C(C(=O)C=CO1)O

Isomeric SMILES

CCCC(O)O.CC1=C(C(=O)C=CO1)O

InChI

InChI=1S/C6H6O3.C4H10O2/c1-4-6(8)5(7)2-3-9-4;1-2-3-4(5)6/h2-3,8H,1H3;4-6H,2-3H2,1H3