3-butyl-3,6,7-tris(oxidanyl)-4,5,6,7-tetrahydro-2-benzofuran-1-one

Systemtic Name: 3-butyl-3,6,7-tris(oxidanyl)-4,5,6,7-tetrahydro-2-benzofuran-1-one Openeye Name: 3-butyl-3,6,7-trihydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one CAS Name: 3-butyl-3,6,7-trihydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one IUPAC Name: 3-butyl-3,6,7-trihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one Traditional Name: 3-butyl-3,6,7-trihydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one Formula: C12H18O5 MolecularWeight: 242.26832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C(C(CC2)O)O)C(=O)O1)O

Isomeric SMILES

CCCCC1(C2=C(C(C(CC2)O)O)C(=O)O1)O

InChI

InChI=1S/C12H18O5/c1-2-3-6-12(16)7-4-5-8(13)10(14)9(7)11(15)17-12/h8,10,13-14,16H,2-6H2,1H3