2,2,4,6,7-pentamethyl-5-nitro-3-(4-propylphenyl)-3H-1-benzofuran

Systemtic Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propylphenyl)-3H-1-benzofuran Openeye Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propylphenyl)-3H-benzofuran CAS Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propylphenyl)-3H-benzofuran IUPAC Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propylphenyl)-3H-1-benzofuran Traditional Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-propylphenyl)coumaran Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2C3=C(C(=C(C(=C3OC2(C)C)C)C)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2C3=C(C(=C(C(=C3OC2(C)C)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H27NO3/c1-7-8-16-9-11-17(12-10-16)19-18-15(4)20(23(24)25)13(2)14(3)21(18)26-22(19,5)6/h9-12,19H,7-8H2,1-6H3