disodium 5-oxidanylidene-9-propyl-thieno[3,2-g]chromene-3,7-dicarboxylate

Systemtic Name: disodium 5-oxidanylidene-9-propyl-thieno[3,2-g]chromene-3,7-dicarboxylate Openeye Name: disodium 5-oxo-9-propyl-thieno[3,2-g]chromene-3,7-dicarboxylate CAS Name: disodium 5-oxo-9-propylthieno[3,2-g][1]benzopyran-3,7-dicarboxylate IUPAC Name: disodium 5-oxo-9-propylthieno[3,2-g]chromene-3,7-dicarboxylate Traditional Name: disodium 5-keto-9-propyl-thieno[3,2-g]chromene-3,7-dicarboxylate Formula: C16H10Na2O6S MolecularWeight: 376.29154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=CO2)C(=O)[O-])C(=O)C3=C1SC(=C3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC(=CO2)C(=O)[O-])C(=O)C3=C1SC(=C3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12O6S.2Na/c1-2-3-8-13-9(4-7(6-22-13)15(18)19)12(17)10-5-11(16(20)21)23-14(8)10;;/h4-6H,2-3H2,1H3,(H,18,19)(H,20,21);;/q;2*+1/p-2