7-[(Z)-[5-carboxy-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-ylidene]-oxidanyl-methyl]-5-ethanoyl-6-methyl-2,3-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylic acid

Systemtic Name: 7-[(Z)-[5-carboxy-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-ylidene]-oxidanyl-methyl]-5-ethanoyl-6-methyl-2,3-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylic acid Openeye Name: 5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-oxo-chroman-3-ylidene)-hydroxy-methyl]-2,3-dihydroxy-6-methyl-9-oxo-xanthene-1-carboxylic acid CAS Name: 5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)-hydroxymethyl]-2,3-dihydroxy-6-methyl-9-oxo-1-xanthenecarboxylic acid IUPAC Name: 5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-oxochromen-3-ylidene)-hydroxymethyl]-2,3-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylic acid Traditional Name: 5-acetyl-7-[(Z)-(5-carboxy-6,7-dihydroxy-4-keto-chroman-3-ylidene)-hydroxy-methyl]-2,3-dihydroxy-9-keto-6-methyl-xanthene-1-carboxylic acid Formula: C28H18O14 MolecularWeight: 578.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C(=O)C)OC3=CC(=C(C(=C3C2=O)C(=O)O)O)O)C(=C4COC5=CC(=C(C(=C5C4=O)C(=O)O)O)O)O

Isomeric SMILES

CC1=C(C=C2C(=C1C(=O)C)OC3=CC(=C(C(=C3C2=O)C(=O)O)O)O)/C(=C/4\COC5=CC(=C(C(=C5C4=O)C(=O)O)O)O)/O

InChI

InChI=1S/C28H18O14/c1-7-9(21(32)11-6-41-14-4-12(30)24(35)19(27(37)38)17(14)23(11)34)3-10-22(33)18-15(42-26(10)16(7)8(2)29)5-13(31)25(36)20(18)28(39)40/h3-5,30-32,35-36H,6H2,1-2H3,(H,37,38)(H,39,40)/b21-11-