4-[[2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]phenyl]carbonyl-methyl-amino]butan-1-olate

Systemtic Name: 4-[[2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]phenyl]carbonyl-methyl-amino]butan-1-olate Openeye Name: 4-[[2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoyl]-methyl-amino]butan-1-olate CAS Name: 4-[[[2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]phenyl]-oxomethyl]-methylamino]-1-butanolate IUPAC Name: 4-[[2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoyl]-methylamino]butan-1-olate Traditional Name: 4-[[2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoyl]-methyl-amino]butan-1-olate Formula: C33H41N3O3 MolecularWeight: 527.69694

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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=CC=CC=C4C(=O)N(C)CCCC[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)N(C)CCCC[O-]

InChI

InChI=1S/C33H41N3O3/c1-6-35(7-2)24-16-18-28-30(22-24)39-31-23-25(36(8-3)9-4)17-19-29(31)32(28)26-14-10-11-15-27(26)33(38)34(5)20-12-13-21-37/h10-11,14-19,22-23H,6-9,12-13,20-21H2,1-5H3