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

Systemtic Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methyl]-5-oxidanylidene-4-sulfooxy-furan-2-carboxylate Openeye Name: methyl (2R)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-4-sulfooxy-furan-2-carboxylate CAS Name: (2R)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-4-sulfooxy-2-furancarboxylic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-4-sulfooxyfuran-2-carboxylate Traditional Name: (2R)-2-[4-hydroxy-3-(3-methylbut-2-enyl)benzyl]-3-(4-hydroxyphenyl)-5-keto-4-sulfoxy-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)OS(=O)(=O)O)C3=CC=C(C=C3)O)C(=O)OC)O)C

Isomeric SMILES

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

InChI

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