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

Systemtic Name: 2-[(5-ethylthiophen-2-yl)methoxy]-5-nitro-benzoic acid Openeye Name: 2-[(5-ethyl-2-thienyl)methoxy]-5-nitro-benzoic acid CAS Name: 2-[(5-ethyl-2-thiophenyl)methoxy]-5-nitrobenzoic acid IUPAC Name: 2-[(5-ethylthiophen-2-yl)methoxy]-5-nitrobenzoic acid Traditional Name: 2-[(5-ethyl-2-thienyl)methoxy]-5-nitro-benzoic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13NO5S/c1-2-10-4-5-11(21-10)8-20-13-6-3-9(15(18)19)7-12(13)14(16)17/h3-7H,2,8H2,1H3,(H,16,17)