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3',6'-bis(acetyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid; 3',6'-bis(acetyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid

3',6'-bis(acetyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid; 3',6'-bis(acetyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid

CAS: 124387-19-5

Formula: C50H32O18

SMILES: CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=CC(=CC=C13)C(O)=O)C1=CC=C(OC(C)=O)C=C1O2.CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=CC=C(C=C13)C(O)=O)C1=CC=C(OC(C)=O)C=C1O2

IUPAC: 3',6'-bis(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid; 3',6'-bis(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid

InChI: InChI=1S/2C25H16O9/c1-12(26)31-15-4-7-19-21(10-15)33-22-11-16(32-13(2)27)5-8-20(22)25(19)18-6-3-14(23(28)29)9-17(18)24(30)34-25;1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)25(18)20-9-14(23(28)29)3-6-17(20)24(30)34-25/h2*3-11H,1-2H3,(H,2

Composition: C (65.22%), H (3.50%), O (31.28%)

Molar Mass: 920.788

Atom Count: 100

Heavy Atom Count: 68

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 920.15886419
Formal Charge 0
FSP3 0.12
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ZCFZHZUTXKEHLO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 116.78
Topological Polar Surface Area 125.43
Polarizability 44.48
Ring Count 10
Rotatable Bond Count 10

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98% <4 Days 124387-19-5 $38.98-$98.61$38.98$56.57$98.61
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