2-tert-butylbenzoic acid; 4-chloranylbenzoic acid

Systemtic Name: 2-tert-butylbenzoic acid; 4-chloranylbenzoic acid Openeye Name: 2-tert-butylbenzoic acid; 4-chlorobenzoic acid CAS Name: 2-tert-butylbenzoic acid; 4-chlorobenzoic acid IUPAC Name: 2-tert-butylbenzoic acid; 4-chlorobenzoic acid Traditional Name: 2-tert-butylbenzoic acid; 4-chlorobenzoic acid Formula: C18H19ClO4 MolecularWeight: 334.79406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C(=O)O.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C(=O)O.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C11H14O2.C7H5ClO2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13;8-6-3-1-5(2-4-6)7(9)10/h4-7H,1-3H3,(H,12,13);1-4H,(H,9,10)