6-hexyl-7-[(4-nitrophenyl)methoxy]-4-phenyl-chromen-2-one

Systemtic Name: 6-hexyl-7-[(4-nitrophenyl)methoxy]-4-phenyl-chromen-2-one Openeye Name: 6-hexyl-7-[(4-nitrophenyl)methoxy]-4-phenyl-chromen-2-one CAS Name: 6-hexyl-7-[(4-nitrophenyl)methoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-hexyl-7-[(4-nitrophenyl)methoxy]-4-phenylchromen-2-one Traditional Name: 6-hexyl-7-(4-nitrobenzyl)oxy-4-phenyl-coumarin Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27NO5/c1-2-3-4-6-11-22-16-25-24(21-9-7-5-8-10-21)17-28(30)34-27(25)18-26(22)33-19-20-12-14-23(15-13-20)29(31)32/h5,7-10,12-18H,2-4,6,11,19H2,1H3