9-methyl-2,6,7-tris(oxidanyl)xanthen-3-one; sulfuric acid

Systemtic Name: 9-methyl-2,6,7-tris(oxidanyl)xanthen-3-one; sulfuric acid Openeye Name: sulfuric acid; 2,6,7-trihydroxy-9-methyl-xanthen-3-one CAS Name: sulfuric acid; 2,6,7-trihydroxy-9-methyl-3-xanthenone IUPAC Name: sulfuric acid; 2,6,7-trihydroxy-9-methylxanthen-3-one Traditional Name: sulfuric acid; 2,6,7-trihydroxy-9-methyl-fluorone Formula: C28H22O14S MolecularWeight: 614.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O.CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O.OS(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O.CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O.OS(=O)(=O)O

InChI

InChI=1S/2C14H10O5.H2O4S/c2*1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14;1-5(2,3)4/h2*2-5,15-17H,1H3;(H2,1,2,3,4)