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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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