[6-methoxy-4,5-dimethyl-3,8-bis(oxidanyl)-1-oxidanylidene-4H-isochromen-3-yl]methyl 3-(3-methylbut-2-enyl)-4-oxidanyl-benzoate

Systemtic Name: [6-methoxy-4,5-dimethyl-3,8-bis(oxidanyl)-1-oxidanylidene-4H-isochromen-3-yl]methyl 3-(3-methylbut-2-enyl)-4-oxidanyl-benzoate Openeye Name: (3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-isochroman-3-yl)methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate CAS Name: 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid (3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl ester IUPAC Name: (3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4H-isochromen-3-yl)methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate Traditional Name: 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid (3,8-dihydroxy-1-keto-6-methoxy-4,5-dimethyl-isochroman-3-yl)methyl ester Formula: C25H28O8 MolecularWeight: 456.48502

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=CC(=C2C)OC)O)C(=O)OC1(COC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O

Isomeric SMILES

CC1C2=C(C(=CC(=C2C)OC)O)C(=O)OC1(COC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O

InChI

InChI=1S/C25H28O8/c1-13(2)6-7-16-10-17(8-9-18(16)26)23(28)32-12-25(30)15(4)21-14(3)20(31-5)11-19(27)22(21)24(29)33-25/h6,8-11,15,26-27,30H,7,12H2,1-5H3