bis(azanyl)methylidene-[4-[9-(2-carboxyphenyl)-6-oxidanylidene-xanthen-3-yl]oxycarbonylphenyl]azanium

Systemtic Name: bis(azanyl)methylidene-[4-[9-(2-carboxyphenyl)-6-oxidanylidene-xanthen-3-yl]oxycarbonylphenyl]azanium Openeye Name: [4-[9-(2-carboxyphenyl)-6-oxo-xanthen-3-yl]oxycarbonylphenyl]-(diaminomethylene)ammonium CAS Name: [4-[[9-(2-carboxyphenyl)-6-oxo-3-xanthenyl]oxy-oxomethyl]phenyl]-(diaminomethylidene)ammonium IUPAC Name: [4-[9-(2-carboxyphenyl)-6-oxoxanthen-3-yl]oxycarbonylphenyl]-(diaminomethylidene)azanium Traditional Name: [4-[9-(2-carboxyphenyl)-6-keto-xanthen-3-yl]oxycarbonylphenyl]-(diaminomethylene)ammonium Formula: C28H20N3O6+ MolecularWeight: 494.4749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OC(=O)C5=CC=C(C=C5)[NH+]=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OC(=O)C5=CC=C(C=C5)[NH+]=C(N)N)C(=O)O

InChI

InChI=1S/C28H19N3O6/c29-28(30)31-16-7-5-15(6-8-16)27(35)36-18-10-12-22-24(14-18)37-23-13-17(32)9-11-21(23)25(22)19-3-1-2-4-20(19)26(33)34/h1-14H,(H,33,34)(H4,29,30,31)/p+1