4-nitrooxybutyl 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: 4-nitrooxybutyl 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: 4-nitrooxybutyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetate CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate Traditional Name: 2-[(3Z)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid 4-nitrooxybutyl ester Formula: C24H24FNO6S MolecularWeight: 473.513863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C24H24FNO6S/c1-16-21(13-17-5-8-19(9-6-17)33(2)30)20-10-7-18(25)14-23(20)22(16)15-24(27)31-11-3-4-12-32-26(28)29/h5-10,13-14H,3-4,11-12,15H2,1-2H3/b21-13-