tetrasodium 4-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)-6-(oxidanidyloxymethyl)benzene-1,3-dicarboxylate

Systemtic Name: tetrasodium 4-(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)-6-(oxidanidyloxymethyl)benzene-1,3-dicarboxylate Openeye Name: tetrasodium 4-(3-oxido-6-oxo-xanthen-9-yl)-6-(oxidooxymethyl)benzene-1,3-dicarboxylate CAS Name: tetrasodium 4-(3-oxido-6-oxo-9-xanthenyl)-6-(oxidooxymethyl)benzene-1,3-dicarboxylate IUPAC Name: tetrasodium 4-(3-oxido-6-oxoxanthen-9-yl)-6-(oxidooxymethyl)benzene-1,3-dicarboxylate Traditional Name: tetrasodium 4-(3-keto-6-oxido-xanthen-9-yl)-6-(oxidooxymethyl)isophthalate Formula: C22H10Na4O9 MolecularWeight: 510.26848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)[O-])C(=O)[O-])CO[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)[O-])C(=O)[O-])CO[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H14O9.4Na/c23-11-1-3-13-18(6-11)31-19-7-12(24)2-4-14(19)20(13)16-5-10(9-30-29)15(21(25)26)8-17(16)22(27)28;;;;/h1-8,23,29H,9H2,(H,25,26)(H,27,28);;;;/q;4*+1/p-4