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

Systemtic Name: 2-[3,6-bis[(4-nitrophenyl)methoxy]-9H-xanthen-9-yl]benzoic acid Openeye Name: 2-[3,6-bis[(4-nitrophenyl)methoxy]-9H-xanthen-9-yl]benzoic acid CAS Name: 2-[3,6-bis[(4-nitrophenyl)methoxy]-9H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[3,6-bis[(4-nitrophenyl)methoxy]-9H-xanthen-9-yl]benzoic acid Traditional Name: 2-[3,6-bis[(4-nitrobenzyl)oxy]-9H-xanthen-9-yl]benzoic acid Formula: C34H24N2O9 MolecularWeight: 604.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])OC5=C2C=CC(=C5)OCC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])OC5=C2C=CC(=C5)OCC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C34H24N2O9/c37-34(38)28-4-2-1-3-27(28)33-29-15-13-25(43-19-21-5-9-23(10-6-21)35(39)40)17-31(29)45-32-18-26(14-16-30(32)33)44-20-22-7-11-24(12-8-22)36(41)42/h1-18,33H,19-20H2,(H,37,38)