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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C(=C1CCC)O)C(=O)O)C2=C(C(=CC=C2)O)O)Cl

Isomeric SMILES

CCCCCOC1=C(C(=C(C(=C1CCC)O)C(=O)O)C2=C(C(=CC=C2)O)O)Cl

InChI

InChI=1S/C21H25ClO6/c1-3-5-6-11-28-20-13(8-4-2)19(25)16(21(26)27)15(17(20)22)12-9-7-10-14(23)18(12)24/h7,9-10,23-25H,3-6,8,11H2,1-2H3,(H,26,27)