2-(2-methylbutyl)-6-[4-(4-octoxyphenyl)phenoxy]carbonyl-benzoic acid

Systemtic Name: 2-(2-methylbutyl)-6-[4-(4-octoxyphenyl)phenoxy]carbonyl-benzoic acid Openeye Name: 2-(2-methylbutyl)-6-[4-(4-octoxyphenyl)phenoxy]carbonyl-benzoic acid CAS Name: 2-(2-methylbutyl)-6-[[4-(4-octoxyphenyl)phenoxy]-oxomethyl]benzoic acid IUPAC Name: 2-(2-methylbutyl)-6-[4-(4-octoxyphenyl)phenoxy]carbonylbenzoic acid Traditional Name: 2-(2-methylbutyl)-6-[4-(4-octoxyphenyl)phenoxy]carbonyl-benzoic acid Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C(=CC=C3)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C(=CC=C3)CC(C)CC)C(=O)O

InChI

InChI=1S/C33H40O5/c1-4-6-7-8-9-10-22-37-28-18-14-25(15-19-28)26-16-20-29(21-17-26)38-33(36)30-13-11-12-27(23-24(3)5-2)31(30)32(34)35/h11-21,24H,4-10,22-23H2,1-3H3,(H,34,35)