disodium 2-carboxy-4-oxidanylidene-9-propyl-6H-pyrano[2,3-f]indole-7-carboxylate

Systemtic Name: disodium 2-carboxy-4-oxidanylidene-9-propyl-6H-pyrano[2,3-f]indole-7-carboxylate Openeye Name: disodium 2-carboxy-4-oxo-9-propyl-6H-pyrano[2,3-f]indole-7-carboxylate CAS Name: disodium 2-carboxy-4-oxo-9-propyl-6H-pyrano[2,3-f]indole-7-carboxylate IUPAC Name: disodium 2-carboxy-4-oxo-9-propyl-6H-pyrano[2,3-f]indole-7-carboxylate Traditional Name: disodium 2-carboxy-4-keto-9-propyl-6H-pyran[2,3-f]indole-7-carboxylate Formula: C32H24N2Na2O12 MolecularWeight: 674.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=N2)C(=O)O)C(=O)C3=C1C=C(CO3)C(=O)[O-].CCCC1=C2C(=CC(=N2)C(=O)O)C(=O)C3=C1C=C(CO3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC(=N2)C(=O)O)C(=O)C3=C1C=C(CO3)C(=O)[O-].CCCC1=C2C(=CC(=N2)C(=O)O)C(=O)C3=C1C=C(CO3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C16H13NO6.2Na/c2*1-2-3-8-9-4-7(15(19)20)6-23-14(9)13(18)10-5-11(16(21)22)17-12(8)10;;/h2*4-5H,2-3,6H2,1H3,(H,19,20)(H,21,22);;/q;;2*+1/p-2