4-[(2-fluorophenyl)amino]-3-methyl-6-(6-methylhept-5-en-2-yl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[(2-fluorophenyl)amino]-3-methyl-6-(6-methylhept-5-en-2-yl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-(1,5-dimethylhex-4-enyl)-5-(2-fluoroanilino)-4-hydroxy-6-methyl-1,2-benzoquinone CAS Name: 4-(2-fluoroanilino)-5-hydroxy-3-methyl-6-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-(2-fluoroanilino)-5-hydroxy-3-methyl-6-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 3-(1,5-dimethylhex-4-enyl)-5-(2-fluoroanilino)-4-hydroxy-6-methyl-o-benzoquinone Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2F

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2F

InChI

InChI=1S/C21H24FNO3/c1-12(2)8-7-9-13(3)17-20(25)18(14(4)19(24)21(17)26)23-16-11-6-5-10-15(16)22/h5-6,8,10-11,13,23,25H,7,9H2,1-4H3