3-ethyl-2-(2-methylpropoxycarbonyl)-6-octyl-benzoic acid

Systemtic Name: 3-ethyl-2-(2-methylpropoxycarbonyl)-6-octyl-benzoic acid Openeye Name: 3-ethyl-2-isobutoxycarbonyl-6-octyl-benzoic acid CAS Name: 3-ethyl-2-[2-methylpropoxy(oxo)methyl]-6-octylbenzoic acid IUPAC Name: 3-ethyl-2-(2-methylpropoxycarbonyl)-6-octylbenzoic acid Traditional Name: 3-ethyl-2-isobutoxycarbonyl-6-octyl-benzoic acid Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)CC)C(=O)OCC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)CC)C(=O)OCC(C)C)C(=O)O

InChI

InChI=1S/C22H34O4/c1-5-7-8-9-10-11-12-18-14-13-17(6-2)20(19(18)21(23)24)22(25)26-15-16(3)4/h13-14,16H,5-12,15H2,1-4H3,(H,23,24)