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6-chloranyl-4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-benzoic acid

6-chloranyl-4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-benzoic acid

Systemtic Name:6-chloranyl-4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-benzoic acid
Openeye Name:6-chloro-4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-benzoic acid
CAS Name:6-chloro-4-[[4-(3,7-dimethyloctoxy)phenoxy]-oxomethyl]-2,3-diethylbenzoic acid
IUPAC Name:6-chloro-4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethylbenzoic acid
Traditional Name:6-chloro-4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-benzoic acid
Formula: C28H37ClO5
MolecularWeight: 489.04338
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(=O)OC2=CC=C(C=C2)OCCC(C)CCCC(C)C)Cl)C(=O)O)CC


Isomeric SMILES

CCC1=C(C(=C(C=C1C(=O)OC2=CC=C(C=C2)OCCC(C)CCCC(C)C)Cl)C(=O)O)CC


InChI

InChI=1S/C28H37ClO5/c1-6-22-23(7-2)26(27(30)31)25(29)17-24(22)28(32)34-21-13-11-20(12-14-21)33-16-15-19(5)10-8-9-18(3)4/h11-14,17-19H,6-10,15-16H2,1-5H3,(H,30,31)


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