disodium 5-[(4-methyl-3-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: disodium 5-[(4-methyl-3-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: disodium 5-[(3-hydroxy-4-methyl-naphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: disodium 5-[[(3-hydroxy-4-methyl-2-naphthalenyl)-oxomethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: disodium 5-[(3-hydroxy-4-methylnaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: disodium 5-[(3-hydroxy-4-methyl-2-naphthoyl)amino]isophthalate Formula: C20H13NNa2O6 MolecularWeight: 409.29986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)C(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)C(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C20H15NO6.2Na/c1-10-15-5-3-2-4-11(15)9-16(17(10)22)18(23)21-14-7-12(19(24)25)6-13(8-14)20(26)27;;/h2-9,22H,1H3,(H,21,23)(H,24,25)(H,26,27);;/q;2*+1/p-2