5-chloranylsulfonyl-2-heptoxy-benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-heptoxy-benzoic acid Openeye Name: 5-chlorosulfonyl-2-heptoxy-benzoic acid CAS Name: 5-chlorosulfonyl-2-heptoxybenzoic acid IUPAC Name: 5-chlorosulfonyl-2-heptoxybenzoic acid Traditional Name: 5-chlorosulfonyl-2-heptoxy-benzoic acid Formula: C14H19ClO5S MolecularWeight: 334.81566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C14H19ClO5S/c1-2-3-4-5-6-9-20-13-8-7-11(21(15,18)19)10-12(13)14(16)17/h7-8,10H,2-6,9H2,1H3,(H,16,17)