1-benzofuran-7-yl 2,2,4-trimethyl-3,5-bis(oxidanyl)heptanoate

Systemtic Name: 1-benzofuran-7-yl 2,2,4-trimethyl-3,5-bis(oxidanyl)heptanoate Openeye Name: benzofuran-7-yl 3,5-dihydroxy-2,2,4-trimethyl-heptanoate CAS Name: 3,5-dihydroxy-2,2,4-trimethylheptanoic acid 7-benzofuranyl ester IUPAC Name: 1-benzofuran-7-yl 3,5-dihydroxy-2,2,4-trimethylheptanoate Traditional Name: 3,5-dihydroxy-2,2,4-trimethyl-enanthic acid benzofuran-7-yl ester Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C(C)(C)C(=O)OC1=CC=CC2=C1OC=C2)O)O

Isomeric SMILES

CCC(C(C)C(C(C)(C)C(=O)OC1=CC=CC2=C1OC=C2)O)O

InChI

InChI=1S/C18H24O5/c1-5-13(19)11(2)16(20)18(3,4)17(21)23-14-8-6-7-12-9-10-22-15(12)14/h6-11,13,16,19-20H,5H2,1-4H3