2-[(5-chloranylthiophen-2-yl)methoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methoxy]-5-nitro-benzoic acid Openeye Name: 2-[(5-chloro-2-thienyl)methoxy]-5-nitro-benzoic acid CAS Name: 2-[(5-chloro-2-thiophenyl)methoxy]-5-nitrobenzoic acid IUPAC Name: 2-[(5-chlorothiophen-2-yl)methoxy]-5-nitrobenzoic acid Traditional Name: 2-[(5-chloro-2-thienyl)methoxy]-5-nitro-benzoic acid Formula: C12H8ClNO5S MolecularWeight: 313.71362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)OCC2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)OCC2=CC=C(S2)Cl

InChI

InChI=1S/C12H8ClNO5S/c13-11-4-2-8(20-11)6-19-10-3-1-7(14(17)18)5-9(10)12(15)16/h1-5H,6H2,(H,15,16)