[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl] ester Formula: C28H18ClNO7 MolecularWeight: 515.89802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=C(C=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=C(C=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H18ClNO7/c29-21-8-5-9-22(30(33)34)27(21)36-18-14-12-17(13-15-18)23(31)16-35-28(32)26-19-6-1-3-10-24(19)37-25-11-4-2-7-20(25)26/h1-15,26H,16H2