disodium 8-carboxy-10-methyl-4,6-bis(oxidanylidene)-1,9-dihydropyrido[3,2-g]quinoline-2-carboxylate

Systemtic Name: disodium 8-carboxy-10-methyl-4,6-bis(oxidanylidene)-1,9-dihydropyrido[3,2-g]quinoline-2-carboxylate Openeye Name: disodium 8-carboxy-10-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2-carboxylate CAS Name: disodium 8-carboxy-10-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2-carboxylate IUPAC Name: disodium 8-carboxy-10-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2-carboxylate Traditional Name: disodium 8-carboxy-4,6-diketo-10-methyl-1,9-dihydropyrido[3,2-g]quinoline-2-carboxylate Formula: C30H18N4Na2O12 MolecularWeight: 672.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC3=C1NC(=CC3=O)C(=O)O)C(=O)C=C(N2)C(=O)[O-].CC1=C2C(=CC3=C1NC(=CC3=O)C(=O)O)C(=O)C=C(N2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C2C(=CC3=C1NC(=CC3=O)C(=O)O)C(=O)C=C(N2)C(=O)[O-].CC1=C2C(=CC3=C1NC(=CC3=O)C(=O)O)C(=O)C=C(N2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C15H10N2O6.2Na/c2*1-5-12-6(10(18)3-8(16-12)14(20)21)2-7-11(19)4-9(15(22)23)17-13(5)7;;/h2*2-4H,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23);;/q;;2*+1/p-2