sodium [1-butanoyl-5,7-dimethoxy-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl] sulfate

Systemtic Name: sodium [1-butanoyl-5,7-dimethoxy-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl] sulfate Openeye Name: sodium (1-butanoyl-4-hydroxy-5,7-dimethoxy-9,10-dioxo-2-anthryl) sulfate CAS Name: sodium [4-hydroxy-5,7-dimethoxy-9,10-dioxo-1-(1-oxobutyl)-2-anthracenyl] sulfate IUPAC Name: sodium (1-butanoyl-4-hydroxy-5,7-dimethoxy-9,10-dioxoanthracen-2-yl) sulfate Traditional Name: sodium (1-butyryl-4-hydroxy-9,10-diketo-5,7-dimethoxy-2-anthryl) sulfate Formula: C20H17NaO10S MolecularWeight: 472.39775

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C2=C1C(=O)C3=CC(=CC(=C3C2=O)OC)OC)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC(=O)C1=C(C=C(C2=C1C(=O)C3=CC(=CC(=C3C2=O)OC)OC)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H18O10S.Na/c1-4-5-11(21)16-14(30-31(25,26)27)8-12(22)17-18(16)19(23)10-6-9(28-2)7-13(29-3)15(10)20(17)24;/h6-8,22H,4-5H2,1-3H3,(H,25,26,27);/q;+1/p-1