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3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxylic acid

3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name:3-chloranyl-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxylic acid
Openeye Name:3-chloro-5,6-dihydroxy-7-nitro-benzothiophene-2-carboxylic acid
CAS Name:3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylic acid
IUPAC Name:3-chloro-5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylic acid
Traditional Name:3-chloro-5,6-dihydroxy-7-nitro-benzothiophene-2-carboxylic acid
Formula: C9H4ClNO6S
MolecularWeight: 289.64916
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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1O)O)[N+](=O)[O-])SC(=C2Cl)C(=O)O


Isomeric SMILES

C1=C2C(=C(C(=C1O)O)[N+](=O)[O-])SC(=C2Cl)C(=O)O


InChI

InChI=1S/C9H4ClNO6S/c10-4-2-1-3(12)6(13)5(11(16)17)7(2)18-8(4)9(14)15/h1,12-13H,(H,14,15)


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