2-[3-[(4-nitrophenyl)methoxy]-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-[(4-nitrophenyl)methoxy]-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-[(4-nitrophenyl)methoxy]-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-[(4-nitrophenyl)methoxy]-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-[(4-nitrophenyl)methoxy]-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[3-keto-6-(4-nitrobenzyl)oxy-xanthen-9-yl]benzoic acid Formula: C27H17NO7 MolecularWeight: 467.42638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H17NO7/c29-18-9-11-22-24(13-18)35-25-14-19(34-15-16-5-7-17(8-6-16)28(32)33)10-12-23(25)26(22)20-3-1-2-4-21(20)27(30)31/h1-14H,15H2,(H,30,31)