3-nitro-2-oxidanyl-5-(6-phenoxyhexoxy)chromen-4-one

Systemtic Name: 3-nitro-2-oxidanyl-5-(6-phenoxyhexoxy)chromen-4-one Openeye Name: 2-hydroxy-3-nitro-5-(6-phenoxyhexoxy)chromen-4-one CAS Name: 2-hydroxy-3-nitro-5-(6-phenoxyhexoxy)-1-benzopyran-4-one IUPAC Name: 2-hydroxy-3-nitro-5-(6-phenoxyhexoxy)chromen-4-one Traditional Name: 2-hydroxy-3-nitro-5-(6-phenoxyhexoxy)chromone Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCOC2=CC=CC3=C2C(=O)C(=C(O3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCOC2=CC=CC3=C2C(=O)C(=C(O3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c23-20-18-16(11-8-12-17(18)29-21(24)19(20)22(25)26)28-14-7-2-1-6-13-27-15-9-4-3-5-10-15/h3-5,8-12,24H,1-2,6-7,13-14H2