5-(aminomethyl)-2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 5-(aminomethyl)-2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 5-(aminomethyl)-2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate CAS Name: 5-(aminomethyl)-2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]benzoate IUPAC Name: 5-(aminomethyl)-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate Traditional Name: 5-(aminomethyl)-2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate Formula: C29H33N3O3 MolecularWeight: 471.59062

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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)CN)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)22-12-9-19(18-30)15-25(22)29(33)34/h9-17H,5-8,18,30H2,1-4H3