aluminum; 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one

Systemtic Name: aluminum; 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one Openeye Name: aluminum; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one CAS Name: aluminum; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: aluminum; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one Traditional Name: aluminum; 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one Formula: C45H36AlO21 MolecularWeight: 939.736278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O.C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O.C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O.[Al]

Isomeric SMILES

C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O.C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O.C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O.[Al]

InChI

InChI=1S/3C15H12O7.Al/c3*16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;/h3*1-5,14-19,21H;