5-chloranylsulfonyl-2-pentoxy-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-pentoxy-benzoic acid Openeye Name: 5-chlorosulfonyl-2-pentoxy-benzoic acid CAS Name: 5-chlorosulfonyl-2-pentoxybenzoic acid IUPAC Name: 5-chlorosulfonyl-2-pentoxybenzoic acid Traditional Name: 2-amoxy-5-chlorosulfonyl-benzoic acid Formula: C12H15ClO5S MolecularWeight: 306.7625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C12H15ClO5S/c1-2-3-4-7-18-11-6-5-9(19(13,16)17)8-10(11)12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)