4-chloranyl-3-(3-phenylpropylsulfonyl)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-phenylpropylsulfonyl)benzoic acid Openeye Name: 4-chloro-3-(3-phenylpropylsulfonyl)benzoic acid CAS Name: 4-chloro-3-(3-phenylpropylsulfonyl)benzoic acid IUPAC Name: 4-chloro-3-(3-phenylpropylsulfonyl)benzoic acid Traditional Name: 4-chloro-3-(3-phenylpropylsulfonyl)benzoic acid Formula: C16H15ClO4S MolecularWeight: 338.8059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H15ClO4S/c17-14-9-8-13(16(18)19)11-15(14)22(20,21)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)