trisodium 6-[3-(4-ethanoyl-2-ethyl-5-oxidanidyl-phenoxy)propoxy]-5-(3-oxidanidyl-3-oxidanylidene-propyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: trisodium 6-[3-(4-ethanoyl-2-ethyl-5-oxidanidyl-phenoxy)propoxy]-5-(3-oxidanidyl-3-oxidanylidene-propyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: trisodium 6-[3-(4-acetyl-2-ethyl-5-oxido-phenoxy)propoxy]-5-(3-oxido-3-oxo-propyl)-9-oxo-xanthene-2-carboxylate CAS Name: trisodium 6-[3-(4-acetyl-2-ethyl-5-oxidophenoxy)propoxy]-5-(3-oxido-3-oxopropyl)-9-oxo-2-xanthenecarboxylate IUPAC Name: trisodium 6-[3-(4-acetyl-2-ethyl-5-oxidophenoxy)propoxy]-5-(3-oxido-3-oxopropyl)-9-oxoxanthene-2-carboxylate Traditional Name: trisodium 6-[3-(4-acetyl-2-ethyl-5-oxido-phenoxy)propoxy]-9-keto-5-(3-keto-3-oxido-propyl)xanthene-2-carboxylate Formula: C30H25Na3O10 MolecularWeight: 614.48281

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)[O-])OCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)[O-])OCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H28O10.3Na/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34;;;/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37);;;/q;3*+1/p-3