3-(2,5-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(2,5-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(2,5-dimethoxyphenyl)-5-nitro-benzothiophene-2-carboxylic acid CAS Name: 3-(2,5-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(2,5-dimethoxyphenyl)-5-nitro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(2,5-dimethoxyphenyl)-5-nitro-benzothiophene-2-carboxylic acid Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=C(SC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=C(SC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13NO6S/c1-23-10-4-5-13(24-2)11(8-10)15-12-7-9(18(21)22)3-6-14(12)25-16(15)17(19)20/h3-8H,1-2H3,(H,19,20)