3-but-3-ynylsulfonyl-2,5-bis(chloranyl)benzoic acid

Systemtic Name: 3-but-3-ynylsulfonyl-2,5-bis(chloranyl)benzoic acid Openeye Name: 3-but-3-ynylsulfonyl-2,5-dichloro-benzoic acid CAS Name: 3-but-3-ynylsulfonyl-2,5-dichlorobenzoic acid IUPAC Name: 3-but-3-ynylsulfonyl-2,5-dichlorobenzoic acid Traditional Name: 3-but-3-ynylsulfonyl-2,5-dichloro-benzoic acid Formula: C11H8Cl2O4S MolecularWeight: 307.14982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

Isomeric SMILES

C#CCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H8Cl2O4S/c1-2-3-4-18(16,17)9-6-7(12)5-8(10(9)13)11(14)15/h1,5-6H,3-4H2,(H,14,15)