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

Systemtic Name: 4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-methoxy-benzoic acid Openeye Name: 4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-methoxy-benzoic acid CAS Name: 4-[[4-(3,7-dimethyloctoxy)phenoxy]-oxomethyl]-2,3-diethyl-6-methoxybenzoic acid IUPAC Name: 4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-methoxybenzoic acid Traditional Name: 4-[4-(3,7-dimethyloctoxy)phenoxy]carbonyl-2,3-diethyl-6-methoxy-benzoic acid Formula: C29H40O6 MolecularWeight: 484.6243

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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)OC)C(=O)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C29H40O6/c1-7-23-24(8-2)27(28(30)31)26(33-6)18-25(23)29(32)35-22-14-12-21(13-15-22)34-17-16-20(5)11-9-10-19(3)4/h12-15,18-20H,7-11,16-17H2,1-6H3,(H,30,31)