5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate

Systemtic Name: 5-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxycarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate Openeye Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-benzoate CAS Name: 2-[3-(dimethylamino)-6-dimethyliminio-9-xanthenyl]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy-oxomethyl]benzoate IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate Traditional Name: 2-[3-(dimethylamino)-6-dimethyliminio-xanthen-9-yl]-5-succinimidooxycarbonyl-benzoate Formula: C29H25N3O7 MolecularWeight: 539.436558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)ON5C(=O)CCC5=O)C(=O)[O-]

Isomeric SMILES

CN(C)[13C]1=[13CH][13C]2=[13C]([13CH]=[13CH]1)C(=[13C]3[13CH]=[13CH][13C](=[N+](C)C)[13CH]=[13C]3O2)C4=C(C=C(C=C4)C(=O)ON5C(=O)CCC5=O)C(=O)[O-]

InChI

InChI=1S/C29H25N3O7/c1-30(2)17-6-9-20-23(14-17)38-24-15-18(31(3)4)7-10-21(24)27(20)19-8-5-16(13-22(19)28(35)36)29(37)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3/i6+1,7+1,9+1,10+1,14+1,15+1,17+1,18+1,20+1,21+1,23+1,24+1