ethyl 5-[2-(4-chloranylsulfonylphenyl)ethynyl]-2-oxidanyl-benzoate

Systemtic Name: ethyl 5-[2-(4-chloranylsulfonylphenyl)ethynyl]-2-oxidanyl-benzoate Openeye Name: ethyl 5-[2-(4-chlorosulfonylphenyl)ethynyl]-2-hydroxy-benzoate CAS Name: 5-[2-(4-chlorosulfonylphenyl)ethynyl]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-chlorosulfonylphenyl)ethynyl]-2-hydroxybenzoate Traditional Name: 5-[2-(4-chlorosulfonylphenyl)ethynyl]-2-hydroxy-benzoic acid ethyl ester Formula: C17H13ClO5S MolecularWeight: 364.80012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)Cl)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C#CC2=CC=C(C=C2)S(=O)(=O)Cl)O

InChI

InChI=1S/C17H13ClO5S/c1-2-23-17(20)15-11-13(7-10-16(15)19)4-3-12-5-8-14(9-6-12)24(18,21)22/h5-11,19H,2H2,1H3