disodium 4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzene-1,3-dicarboxylate chloride

Systemtic Name: disodium 4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzene-1,3-dicarboxylate chloride Openeye Name: disodium 4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzene-1,3-dicarboxylate chloride CAS Name: disodium 4-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]benzene-1,3-dicarboxylate chloride IUPAC Name: disodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate chloride Traditional Name: disodium 4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]isophthalate chloride Formula: C29H29ClN2Na2O5 MolecularWeight: 566.9835

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Cl-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Cl-]

InChI

InChI=1S/C29H30N2O5.ClH.2Na/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(28(32)33)15-24(21)29(34)35;;;/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35);1H;;/q;;2*+1/p-2