[3-methyl-7,8-bis(oxidanyl)-1-oxidanylidene-pyrano[4,3-b][1]benzofuran-6-yl] 2-ethylhexanoate

Systemtic Name: [3-methyl-7,8-bis(oxidanyl)-1-oxidanylidene-pyrano[4,3-b][1]benzofuran-6-yl] 2-ethylhexanoate Openeye Name: (7,8-dihydroxy-3-methyl-1-oxo-pyrano[4,3-b]benzofuran-6-yl) 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid (7,8-dihydroxy-3-methyl-1-oxo-6-pyrano[4,3-b]benzofuranyl) ester IUPAC Name: (7,8-dihydroxy-3-methyl-1-oxopyrano[4,3-b][1]benzofuran-6-yl) 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid (7,8-dihydroxy-1-keto-3-methyl-pyrano[4,3-b]benzofuran-6-yl) ester Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C2C(=CC(=C1O)O)C3=C(O2)C=C(OC3=O)C

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C2C(=CC(=C1O)O)C3=C(O2)C=C(OC3=O)C

InChI

InChI=1S/C20H22O7/c1-4-6-7-11(5-2)19(23)27-18-16(22)13(21)9-12-15-14(26-17(12)18)8-10(3)25-20(15)24/h8-9,11,21-22H,4-7H2,1-3H3