(2R)-2-methoxy-4,4-bis[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-isochromen-7-yl]butanoic acid

Systemtic Name: (2R)-2-methoxy-4,4-bis[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-isochromen-7-yl]butanoic acid Openeye Name: (2R)-4,4-bis(6,8-dihydroxy-3-methyl-1-oxo-isochromen-7-yl)-2-methoxy-butanoic acid CAS Name: (2R)-4,4-bis(6,8-dihydroxy-3-methyl-1-oxo-2-benzopyran-7-yl)-2-methoxybutanoic acid IUPAC Name: (2R)-4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid Traditional Name: (2R)-4,4-bis(6,8-dihydroxy-1-keto-3-methyl-isochromen-7-yl)-2-methoxy-butyric acid Formula: C25H22O11 MolecularWeight: 498.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)C(CC(C(=O)O)OC)C3=C(C=C4C=C(OC(=O)C4=C3O)C)O)O

Isomeric SMILES

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)C(C[C@H](C(=O)O)OC)C3=C(C=C4C=C(OC(=O)C4=C3O)C)O)O

InChI

InChI=1S/C25H22O11/c1-9-4-11-6-14(26)19(21(28)17(11)24(32)35-9)13(8-16(34-3)23(30)31)20-15(27)7-12-5-10(2)36-25(33)18(12)22(20)29/h4-7,13,16,26-29H,8H2,1-3H3,(H,30,31)/t16-/m1/s1