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

Systemtic Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-pentylphenyl)-3H-1-benzofuran Openeye Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-pentylphenyl)-3H-benzofuran CAS Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-pentylphenyl)-3H-benzofuran IUPAC Name: 2,2,4,6,7-pentamethyl-5-nitro-3-(4-pentylphenyl)-3H-1-benzofuran Traditional Name: 3-(4-amylphenyl)-2,2,4,6,7-pentamethyl-5-nitro-coumaran Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2C3=C(C(=C(C(=C3OC2(C)C)C)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2C3=C(C(=C(C(=C3OC2(C)C)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H31NO3/c1-7-8-9-10-18-11-13-19(14-12-18)21-20-17(4)22(25(26)27)15(2)16(3)23(20)28-24(21,5)6/h11-14,21H,7-10H2,1-6H3