2-hexoxy-5-(4-methylpentyl)benzoic acid

Systemtic Name: 2-hexoxy-5-(4-methylpentyl)benzoic acid Openeye Name: 2-hexoxy-5-isohexyl-benzoic acid CAS Name: 2-hexoxy-5-(4-methylpentyl)benzoic acid IUPAC Name: 2-hexoxy-5-(4-methylpentyl)benzoic acid Traditional Name: 2-hexoxy-5-isohexyl-benzoic acid Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CCCC(C)C)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CCCC(C)C)C(=O)O

InChI

InChI=1S/C19H30O3/c1-4-5-6-7-13-22-18-12-11-16(10-8-9-15(2)3)14-17(18)19(20)21/h11-12,14-15H,4-10,13H2,1-3H3,(H,20,21)