[1-[5-[2,5-bis(oxidanyl)phenyl]furan-3-yl]-4-methyl-pent-3-enyl] 2-methylbutanoate

Systemtic Name: [1-[5-[2,5-bis(oxidanyl)phenyl]furan-3-yl]-4-methyl-pent-3-enyl] 2-methylbutanoate Openeye Name: [1-[5-(2,5-dihydroxyphenyl)-3-furyl]-4-methyl-pent-3-enyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [1-[5-(2,5-dihydroxyphenyl)-3-furanyl]-4-methylpent-3-enyl] ester IUPAC Name: [1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [1-[5-(2,5-dihydroxyphenyl)-3-furyl]-4-methyl-pent-3-enyl] ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O

Isomeric SMILES

CCC(C)C(=O)OC(CC=C(C)C)C1=COC(=C1)C2=C(C=CC(=C2)O)O

InChI

InChI=1S/C21H26O5/c1-5-14(4)21(24)26-19(9-6-13(2)3)15-10-20(25-12-15)17-11-16(22)7-8-18(17)23/h6-8,10-12,14,19,22-23H,5,9H2,1-4H3