3,4-dibutyl-2-carbonochloridoyl-benzoic acid

Systemtic Name: 3,4-dibutyl-2-carbonochloridoyl-benzoic acid Openeye Name: 3,4-dibutyl-2-chlorocarbonyl-benzoic acid CAS Name: 3,4-dibutyl-2-carbonochloridoylbenzoic acid IUPAC Name: 3,4-dibutyl-2-carbonochloridoylbenzoic acid Traditional Name: 3,4-dibutyl-2-chlorocarbonyl-benzoic acid Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)Cl)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)Cl)CCCC

InChI

InChI=1S/C16H21ClO3/c1-3-5-7-11-9-10-13(16(19)20)14(15(17)18)12(11)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,19,20)