methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxy-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate

Systemtic Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxy-phenyl]methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate Openeye Name: methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxy-phenyl]methyl]-5-oxo-furan-2-carboxylate CAS Name: (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]methyl]-5-oxo-2-furancarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-sulfooxyphenyl]methyl]-5-oxofuran-2-carboxylate Traditional Name: (2R)-4-hydroxy-3-(4-hydroxyphenyl)-5-keto-2-[3-(3-methylbut-2-enyl)-4-sulfoxy-benzyl]furan-2-carboxylic acid methyl ester Formula: C24H24O10S MolecularWeight: 504.50636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=CC(=C1)CC2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)C(=O)OC)OS(=O)(=O)O)C

Isomeric SMILES

CC(=CCC1=C(C=CC(=C1)C[C@@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)C(=O)OC)OS(=O)(=O)O)C

InChI

InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)34-35(29,30)31)13-24(23(28)32-3)20(21(26)22(27)33-24)16-7-9-18(25)10-8-16/h4-5,7-12,25-26H,6,13H2,1-3H3,(H,29,30,31)/t24-/m1/s1