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4-[3,5-bis(chloranyl)phenyl]-2-(octylsulfonylamino)benzoic acid

4-[3,5-bis(chloranyl)phenyl]-2-(octylsulfonylamino)benzoic acid

Systemtic Name:4-[3,5-bis(chloranyl)phenyl]-2-(octylsulfonylamino)benzoic acid
Openeye Name:4-(3,5-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid
CAS Name:4-(3,5-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid
IUPAC Name:4-(3,5-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid
Traditional Name:4-(3,5-dichlorophenyl)-2-(octylsulfonylamino)benzoic acid
Formula: C21H25Cl2NO4S
MolecularWeight: 458.3985
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)C2=CC(=CC(=C2)Cl)Cl)C(=O)O


Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)C2=CC(=CC(=C2)Cl)Cl)C(=O)O


InChI

InChI=1S/C21H25Cl2NO4S/c1-2-3-4-5-6-7-10-29(27,28)24-20-13-15(8-9-19(20)21(25)26)16-11-17(22)14-18(23)12-16/h8-9,11-14,24H,2-7,10H2,1H3,(H,25,26)


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