tetrasodium 2,5-bis(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)-4-(oxidanidyloxymethyl)benzoate

Systemtic Name: tetrasodium 2,5-bis(3-oxidanidyl-6-oxidanylidene-xanthen-9-yl)-4-(oxidanidyloxymethyl)benzoate Openeye Name: tetrasodium 2,5-bis(3-oxido-6-oxo-xanthen-9-yl)-4-(oxidooxymethyl)benzoate CAS Name: tetrasodium 2,5-bis(3-oxido-6-oxo-9-xanthenyl)-4-(oxidooxymethyl)benzoate IUPAC Name: tetrasodium 2,5-bis(3-oxido-6-oxoxanthen-9-yl)-4-(oxidooxymethyl)benzoate Traditional Name: tetrasodium 2,5-bis(3-keto-6-oxido-xanthen-9-yl)-4-(oxidooxymethyl)benzoate Formula: C34H16Na4O10 MolecularWeight: 676.44392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4CO[O-])C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4CO[O-])C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H20O10.4Na/c35-17-1-5-21-28(10-17)43-29-11-18(36)2-6-22(29)32(21)25-14-27(34(39)40)26(9-16(25)15-42-41)33-23-7-3-19(37)12-30(23)44-31-13-20(38)4-8-24(31)33;;;;/h1-14,35,37,41H,15H2,(H,39,40);;;;/q;4*+1/p-4