9-[3-[(4-nitrophenyl)methoxy]phenyl]-2,6,7-tris(oxidanyl)xanthen-3-one

Systemtic Name: 9-[3-[(4-nitrophenyl)methoxy]phenyl]-2,6,7-tris(oxidanyl)xanthen-3-one Openeye Name: 2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]xanthen-3-one CAS Name: 2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]-3-xanthenone IUPAC Name: 2,6,7-trihydroxy-9-[3-[(4-nitrophenyl)methoxy]phenyl]xanthen-3-one Traditional Name: 2,6,7-trihydroxy-9-[3-(4-nitrobenzyl)oxyphenyl]fluorone Formula: C26H17NO8 MolecularWeight: 471.41508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)O)O)O

InChI

InChI=1S/C26H17NO8/c28-20-9-18-24(11-22(20)30)35-25-12-23(31)21(29)10-19(25)26(18)15-2-1-3-17(8-15)34-13-14-4-6-16(7-5-14)27(32)33/h1-12,28-30H,13H2