(2E,4E)-5-[(3R,6R,7R)-7-methyl-6,7-bis(oxidanyl)-8-oxidanylidene-4,6-dihydro-3H-isochromen-3-yl]penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-[(3R,6R,7R)-7-methyl-6,7-bis(oxidanyl)-8-oxidanylidene-4,6-dihydro-3H-isochromen-3-yl]penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[(3R,6R,7R)-6,7-dihydroxy-7-methyl-8-oxo-4,6-dihydro-3H-isochromen-3-yl]penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[(3R,6R,7R)-6,7-dihydroxy-7-methyl-8-oxo-4,6-dihydro-3H-2-benzopyran-3-yl]penta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[(3R,6R,7R)-6,7-dihydroxy-7-methyl-8-oxo-4,6-dihydro-3H-isochromen-3-yl]penta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[(3R,6R,7R)-6,7-dihydroxy-8-keto-7-methyl-4,6-dihydro-3H-isochromen-3-yl]penta-2,4-dienoic acid Formula: C15H16O6 MolecularWeight: 292.28394

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C=C2CC(OC=C2C1=O)C=CC=CC(=O)O)O)O

Isomeric SMILES

C[C@]1([C@@H](C=C2C[C@@H](OC=C2C1=O)/C=C/C=C/C(=O)O)O)O

InChI

InChI=1S/C15H16O6/c1-15(20)12(16)7-9-6-10(4-2-3-5-13(17)18)21-8-11(9)14(15)19/h2-5,7-8,10,12,16,20H,6H2,1H3,(H,17,18)/b4-2+,5-3+/t10-,12+,15+/m0/s1