3-hexyl-3,7-bis(oxidanyl)-2-benzofuran-1-one

Systemtic Name: 3-hexyl-3,7-bis(oxidanyl)-2-benzofuran-1-one Openeye Name: 3-hexyl-3,7-dihydroxy-isobenzofuran-1-one CAS Name: 3-hexyl-3,7-dihydroxy-1-isobenzofuranone IUPAC Name: 3-hexyl-3,7-dihydroxy-2-benzofuran-1-one Traditional Name: 3-hexyl-3,7-dihydroxy-phthalide Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(C(=CC=C2)O)C(=O)O1)O

Isomeric SMILES

CCCCCCC1(C2=C(C(=CC=C2)O)C(=O)O1)O

InChI

InChI=1S/C14H18O4/c1-2-3-4-5-9-14(17)10-7-6-8-11(15)12(10)13(16)18-14/h6-8,15,17H,2-5,9H2,1H3