6-[3-[2-carboxy-3,4,6-tris(oxidanyl)phenyl]carbonyl-5-ethanoyl-4-oxidanyl-phenyl]-5,7-diethanoyl-2,3-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylic acid

Systemtic Name: 6-[3-[2-carboxy-3,4,6-tris(oxidanyl)phenyl]carbonyl-5-ethanoyl-4-oxidanyl-phenyl]-5,7-diethanoyl-2,3-bis(oxidanyl)-9-oxidanylidene-xanthene-1-carboxylic acid Openeye Name: 5,7-diacetyl-6-[3-acetyl-5-(2-carboxy-3,4,6-trihydroxy-benzoyl)-4-hydroxy-phenyl]-2,3-dihydroxy-9-oxo-xanthene-1-carboxylic acid CAS Name: 5,7-diacetyl-6-[3-acetyl-5-[(2-carboxy-3,4,6-trihydroxyphenyl)-oxomethyl]-4-hydroxyphenyl]-2,3-dihydroxy-9-oxo-1-xanthenecarboxylic acid IUPAC Name: 5,7-diacetyl-6-[3-acetyl-5-(2-carboxy-3,4,6-trihydroxybenzoyl)-4-hydroxyphenyl]-2,3-dihydroxy-9-oxoxanthene-1-carboxylic acid Traditional Name: 5,7-diacetyl-6-[3-acetyl-5-(2-carboxy-3,4,6-trihydroxy-benzoyl)-4-hydroxy-phenyl]-2,3-dihydroxy-9-keto-xanthene-1-carboxylic acid Formula: C34H22O16 MolecularWeight: 686.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)C(=O)C2=C(C(=C(C=C2O)O)O)C(=O)O)C3=C(C=C4C(=C3C(=O)C)OC5=CC(=C(C(=C5C4=O)C(=O)O)O)O)C(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)C(=O)C2=C(C(=C(C=C2O)O)O)C(=O)O)C3=C(C=C4C(=C3C(=O)C)OC5=CC(=C(C(=C5C4=O)C(=O)O)O)O)C(=O)C

InChI

InChI=1S/C34H22O16/c1-9(35)13-6-16-29(43)24-20(8-19(40)31(45)26(24)34(48)49)50-32(16)21(11(3)37)22(13)12-4-14(10(2)36)27(41)15(5-12)28(42)23-17(38)7-18(39)30(44)25(23)33(46)47/h4-8,38-41,44-45H,1-3H3,(H,46,47)(H,48,49)