(3-butyl-5-nitro-1-benzothiophen-2-yl)-(4-hydroxyphenyl)methanone

Systemtic Name: (3-butyl-5-nitro-1-benzothiophen-2-yl)-(4-hydroxyphenyl)methanone Openeye Name: (3-butyl-5-nitro-benzothiophen-2-yl)-(4-hydroxyphenyl)methanone CAS Name: (3-butyl-5-nitro-1-benzothiophen-2-yl)-(4-hydroxyphenyl)methanone IUPAC Name: (3-butyl-5-nitro-1-benzothiophen-2-yl)-(4-hydroxyphenyl)methanone Traditional Name: (3-butyl-5-nitro-benzothiophen-2-yl)-(4-hydroxyphenyl)methanone Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H17NO4S/c1-2-3-4-15-16-11-13(20(23)24)7-10-17(16)25-19(15)18(22)12-5-8-14(21)9-6-12/h5-11,21H,2-4H2,1H3