disodium [2,3-dimethoxy-4,5-bis(oxidanyl)phenyl]-phenyl-methanone sulfate

Systemtic Name: disodium [2,3-dimethoxy-4,5-bis(oxidanyl)phenyl]-phenyl-methanone sulfate Openeye Name: disodium (4,5-dihydroxy-2,3-dimethoxy-phenyl)-phenyl-methanone sulfate CAS Name: disodium (4,5-dihydroxy-2,3-dimethoxyphenyl)-phenylmethanone sulfate IUPAC Name: disodium (4,5-dihydroxy-2,3-dimethoxyphenyl)-phenylmethanone sulfate Traditional Name: disodium (4,5-dihydroxy-2,3-dimethoxy-phenyl)-phenyl-methanone sulfate Formula: C15H14Na2O9S MolecularWeight: 416.3108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1C(=O)C2=CC=CC=C2)O)O)OC.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C(=C(C=C1C(=O)C2=CC=CC=C2)O)O)OC.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H14O5.2Na.H2O4S/c1-19-14-10(8-11(16)13(18)15(14)20-2)12(17)9-6-4-3-5-7-9;;;1-5(2,3)4/h3-8,16,18H,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2