5-chloranyl-2,4-bis(1-oxidanylpropyl)benzoic acid

Systemtic Name: 5-chloranyl-2,4-bis(1-oxidanylpropyl)benzoic acid Openeye Name: 5-chloro-2,4-bis(1-hydroxypropyl)benzoic acid CAS Name: 5-chloro-2,4-bis(1-hydroxypropyl)benzoic acid IUPAC Name: 5-chloro-2,4-bis(1-hydroxypropyl)benzoic acid Traditional Name: 5-chloro-2,4-bis(1-hydroxypropyl)benzoic acid Formula: C13H17ClO4 MolecularWeight: 272.72468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1C(=O)O)Cl)C(CC)O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1C(=O)O)Cl)C(CC)O)O

InChI

InChI=1S/C13H17ClO4/c1-3-11(15)7-5-9(12(16)4-2)10(14)6-8(7)13(17)18/h5-6,11-12,15-16H,3-4H2,1-2H3,(H,17,18)