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

Systemtic Name: disodium 6-[3-(4-ethanoyl-2-ethyl-5-oxidanidyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: disodium 6-[3-(4-acetyl-2-ethyl-5-oxido-phenoxy)propoxy]-9-oxo-xanthene-2-carboxylate CAS Name: disodium 6-[3-(4-acetyl-2-ethyl-5-oxidophenoxy)propoxy]-9-oxo-2-xanthenecarboxylate IUPAC Name: disodium 6-[3-(4-acetyl-2-ethyl-5-oxidophenoxy)propoxy]-9-oxoxanthene-2-carboxylate Traditional Name: disodium 6-[3-(4-acetyl-2-ethyl-5-oxido-phenoxy)propoxy]-9-keto-xanthene-2-carboxylate Formula: C27H22Na2O8 MolecularWeight: 520.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)[O-])OCCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)[O-])OCCCOC2=CC3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C27H24O8.2Na/c1-3-16-11-20(15(2)28)22(29)14-24(16)34-10-4-9-33-18-6-7-19-25(13-18)35-23-8-5-17(27(31)32)12-21(23)26(19)30;;/h5-8,11-14,29H,3-4,9-10H2,1-2H3,(H,31,32);;/q;2*+1/p-2