oxidanium [6-carboxy-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methyl-9-oxidaniumylidene-2,4,7-tris(oxidanyl)-10-oxidanylidene-anthracen-1-yl]oxy-[6-carboxylato-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methyl-9-oxidaniumylidene-2,7-bis(oxidanyl)-10-oxidanylidene-anthracen-1-yl]oxy-aluminum hydrate

Systemtic Name: oxidanium [6-carboxy-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methyl-9-oxidaniumylidene-2,4,7-tris(oxidanyl)-10-oxidanylidene-anthracen-1-yl]oxy-[6-carboxylato-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methyl-9-oxidaniumylidene-2,7-bis(oxidanyl)-10-oxidanylidene-anthracen-1-yl]oxy-aluminum hydrate Openeye Name: oxonium [6-carboxylato-2,7-dihydroxy-5-methyl-10-oxo-9-oxoniumylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-anthryl]oxy-[[6-carboxy-2,4,7-trihydroxy-5-methyl-10-oxo-9-oxoniumylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-anthryl]oxy]aluminum hydrate CAS Name: oxonium [6-carboxylato-2,7-dihydroxy-5-methyl-10-oxo-9-oxoniumylidene-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-anthracenyl]oxy-[[6-carboxy-2,4,7-trihydroxy-5-methyl-10-oxo-9-oxoniumylidene-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-anthracenyl]oxy]aluminum hydrate IUPAC Name: oxidanium [6-carboxylato-2,7-dihydroxy-5-methyl-10-oxo-9-oxoniumylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-1-yl]oxy-[6-carboxy-2,4,7-trihydroxy-5-methyl-10-oxo-9-oxoniumylidene-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-1-yl]oxyaluminum hydrate Traditional Name: oxonium [6-carboxylato-2,7-dihydroxy-10-keto-5-methyl-9-oxoniumylidene-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-1-anthryl]oxy-[[6-carboxy-2,4,7-trihydroxy-10-keto-5-methyl-9-oxoniumylidene-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-1-anthryl]oxy]aluminum hydrate Formula: C44H44AlO29+2 MolecularWeight: 1063.784298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C(=O)O)O)C(=[OH+])C3=C(C2=O)C(=C(C(=C3O[Al]OC4=C5C(=CC(=C4O)OC6C(C(C(C(O6)CO)O)O)O)C(=O)C7=C(C(=C(C=C7C5=[OH+])O)C(=O)[O-])C)O)OC8C(C(C(C(O8)CO)O)O)O)O.[OH3+].O

Isomeric SMILES

CC1=C2C(=CC(=C1C(=O)O)O)C(=[OH+])C3=C(C2=O)C(=C(C(=C3O[Al]OC4=C5C(=CC(=C4O)OC6C(C(C(C(O6)CO)O)O)O)C(=O)C7=C(C(=C(C=C7C5=[OH+])O)C(=O)[O-])C)O)OC8C(C(C(C(O8)CO)O)O)O)O.[OH3+].O

InChI

InChI=1S/C22H20O14.C22H20O13.Al.2H2O/c1-4-8-5(2-6(24)9(4)21(33)34)12(25)10-11(14(8)27)16(29)20(18(31)15(10)28)36-22-19(32)17(30)13(26)7(3-23)35-22;1-5-11-6(2-8(24)12(5)21(32)33)15(26)13-7(14(11)25)3-9(16(27)18(13)29)34-22-20(31)19(30)17(28)10(4-23)35-22;;;/h2,7,13,17,19,22-24,26,28-32H,3H2,1H3,(H,33,34);2-3,10,17,19-20,22-24,27-31H,4H2,1H3,(H,32,33);;2*1H2/q;;+2;;