disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate

Systemtic Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate Openeye Name: disodium 7-(diethylamino)-4-methyl-chromen-2-one sulfate CAS Name: disodium 7-(diethylamino)-4-methyl-1-benzopyran-2-one sulfate IUPAC Name: disodium 7-(diethylamino)-4-methylchromen-2-one sulfate Traditional Name: disodium 7-(diethylamino)-4-methyl-coumarin sulfate Formula: C14H17NNa2O6S MolecularWeight: 373.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H17NO2.2Na.H2O4S/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;;;1-5(2,3)4/h6-9H,4-5H2,1-3H3;;;(H2,1,2,3,4)/q;2*+1;/p-2