4-[5-[6-chloranyl-2,3-bis(oxidanyl)phenyl]pentoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[5-[6-chloranyl-2,3-bis(oxidanyl)phenyl]pentoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[5-(6-chloro-2,3-dihydroxy-phenyl)pentoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[5-(6-chloro-2,3-dihydroxyphenyl)pentoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[5-(6-chloro-2,3-dihydroxyphenyl)pentoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[5-(6-chloro-2,3-dihydroxy-phenyl)pentoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C21H25ClO6 MolecularWeight: 408.8726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC2=C(C=CC(=C2O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCC2=C(C=CC(=C2O)O)Cl

InChI

InChI=1S/C21H25ClO6/c1-2-6-14-18(11-8-15(19(14)24)21(26)27)28-12-5-3-4-7-13-16(22)9-10-17(23)20(13)25/h8-11,23-25H,2-7,12H2,1H3,(H,26,27)