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

Systemtic Name: 5-(4-methylpentyl)-2-pentoxy-benzoic acid Openeye Name: 5-isohexyl-2-pentoxy-benzoic acid CAS Name: 5-(4-methylpentyl)-2-pentoxybenzoic acid IUPAC Name: 5-(4-methylpentyl)-2-pentoxybenzoic acid Traditional Name: 2-amoxy-5-isohexyl-benzoic acid Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CCCC(C)C)C(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CCCC(C)C)C(=O)O

InChI

InChI=1S/C18H28O3/c1-4-5-6-12-21-17-11-10-15(9-7-8-14(2)3)13-16(17)18(19)20/h10-11,13-14H,4-9,12H2,1-3H3,(H,19,20)