[5-[[4-[(3-butanoyloxy-4-oxidanyl-phenyl)-oxidanyl-methyl]-2-oxidanylidene-oxolan-3-yl]methyl]-2-oxidanyl-phenyl] butanoate

Systemtic Name: [5-[[4-[(3-butanoyloxy-4-oxidanyl-phenyl)-oxidanyl-methyl]-2-oxidanylidene-oxolan-3-yl]methyl]-2-oxidanyl-phenyl] butanoate Openeye Name: [5-[[4-[(3-butanoyloxy-4-hydroxy-phenyl)-hydroxy-methyl]-2-oxo-tetrahydrofuran-3-yl]methyl]-2-hydroxy-phenyl] butanoate CAS Name: butanoic acid [2-hydroxy-5-[[4-[hydroxy-[4-hydroxy-3-(1-oxobutoxy)phenyl]methyl]-2-oxo-3-oxolanyl]methyl]phenyl] ester IUPAC Name: [5-[[4-[(3-butanoyloxy-4-hydroxyphenyl)-hydroxymethyl]-2-oxooxolan-3-yl]methyl]-2-hydroxyphenyl] butanoate Traditional Name: butyric acid [5-[[4-[(3-butyryloxy-4-hydroxy-phenyl)-hydroxy-methyl]-2-keto-tetrahydrofuran-3-yl]methyl]-2-hydroxy-phenyl] ester Formula: C26H30O9 MolecularWeight: 486.511

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)O)OC(=O)CCC)O)O

Isomeric SMILES

CCCC(=O)OC1=C(C=CC(=C1)CC2C(COC2=O)C(C3=CC(=C(C=C3)O)OC(=O)CCC)O)O

InChI

InChI=1S/C26H30O9/c1-3-5-23(29)34-21-12-15(7-9-19(21)27)11-17-18(14-33-26(17)32)25(31)16-8-10-20(28)22(13-16)35-24(30)6-4-2/h7-10,12-13,17-18,25,27-28,31H,3-6,11,14H2,1-2H3