sodium 4-carboxy-3-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: sodium 4-carboxy-3-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: sodium 4-carboxy-3-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate CAS Name: sodium 4-carboxy-3-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]benzoate IUPAC Name: sodium 4-carboxy-3-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate Traditional Name: sodium 4-carboxy-3-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate Formula: C29H30N2NaO5+ MolecularWeight: 509.54867

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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=CC(=C4)C(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O5.Na/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)24-15-18(28(32)33)9-12-21(24)29(34)35;/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35);/q;+1