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

Systemtic Name: (E,2R)-2-methoxy-4-[3-methyl-6,8-bis(oxidanyl)-1-oxidanylidene-isochromen-7-yl]but-3-enoate Openeye Name: (E,2R)-4-(6,8-dihydroxy-3-methyl-1-oxo-isochromen-7-yl)-2-methoxy-but-3-enoate CAS Name: (E,2R)-4-(6,8-dihydroxy-3-methyl-1-oxo-2-benzopyran-7-yl)-2-methoxy-3-butenoate IUPAC Name: (E,2R)-4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybut-3-enoate Traditional Name: (E,2R)-4-(6,8-dihydroxy-1-keto-3-methyl-isochromen-7-yl)-2-methoxy-but-3-enoate Formula: C15H13O7- MolecularWeight: 305.25952

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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)O

Isomeric SMILES

CC1=CC2=CC(=C(C(=C2C(=O)O1)O)/C=C/[C@H](C(=O)[O-])OC)O

InChI

InChI=1S/C15H14O7/c1-7-5-8-6-10(16)9(3-4-11(21-2)14(18)19)13(17)12(8)15(20)22-7/h3-6,11,16-17H,1-2H3,(H,18,19)/p-1/b4-3+/t11-/m1/s1