2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one; [3,4,5-tris(oxidanyl)-6-phenethyloxy-oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one; [3,4,5-tris(oxidanyl)-6-phenethyloxy-oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate Openeye Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; (3,4,5-trihydroxy-6-phenethyloxy-tetrahydropyran-2-yl)methyl 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid (3,4,5-trihydroxy-6-phenethyloxy-2-oxanyl)methyl ester; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; (3,4,5-trihydroxy-6-phenethyloxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid (3,4,5-trihydroxy-6-phenethyloxy-tetrahydropyran-2-yl)methyl ester; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone Formula: C36H34O16 MolecularWeight: 722.64556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O.C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O.C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

InChI

InChI=1S/C21H24O10.C15H10O6/c22-13-8-12(9-14(23)16(13)24)20(28)30-10-15-17(25)18(26)19(27)21(31-15)29-7-6-11-4-2-1-3-5-11;16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-5,8-9,15,17-19,21-27H,6-7,10H2;1-6,16-18,20H