disodium 2-[(E)-(2-methyl-8-oxidanidyl-quinolin-5-yl)-(2-methyl-8-oxidanylidene-quinolin-5-ylidene)methyl]benzoate

Systemtic Name: disodium 2-[(E)-(2-methyl-8-oxidanidyl-quinolin-5-yl)-(2-methyl-8-oxidanylidene-quinolin-5-ylidene)methyl]benzoate Openeye Name: disodium 2-[(E)-(2-methyl-8-oxido-5-quinolyl)-(2-methyl-8-oxo-5-quinolylidene)methyl]benzoate CAS Name: disodium 2-[(E)-(2-methyl-8-oxido-5-quinolinyl)-(2-methyl-8-oxo-5-quinolinylidene)methyl]benzoate IUPAC Name: disodium 2-[(E)-(2-methyl-8-oxidoquinolin-5-yl)-(2-methyl-8-oxoquinolin-5-ylidene)methyl]benzoate Traditional Name: disodium 2-[(E)-(8-keto-2-methyl-5-quinolylidene)-(2-methyl-8-oxido-5-quinolyl)methyl]benzoate Formula: C28H18N2Na2O4 MolecularWeight: 492.43306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C=C1)C(=C3C=CC(=O)C4=C3C=CC(=N4)C)C5=CC=CC=C5C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C=C1)/C(=C\3/C=CC(=O)C4=C3C=CC(=N4)C)/C5=CC=CC=C5C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C28H20N2O4.2Na/c1-15-7-9-20-18(11-13-23(31)26(20)29-15)25(17-5-3-4-6-22(17)28(33)34)19-12-14-24(32)27-21(19)10-8-16(2)30-27;;/h3-14,31H,1-2H3,(H,33,34);;/q;2*+1/p-2/b25-19-;;