3-tert-butyl-5-(2-carboxyhexyl)benzoic acid

Systemtic Name: 3-tert-butyl-5-(2-carboxyhexyl)benzoic acid Openeye Name: 3-tert-butyl-5-(2-carboxyhexyl)benzoic acid CAS Name: 3-tert-butyl-5-(2-carboxyhexyl)benzoic acid IUPAC Name: 3-tert-butyl-5-(2-carboxyhexyl)benzoic acid Traditional Name: 3-tert-butyl-5-(2-carboxyhexyl)benzoic acid Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC(=CC(=C1)C(=O)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC(CC1=CC(=CC(=C1)C(=O)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C18H26O4/c1-5-6-7-13(16(19)20)8-12-9-14(17(21)22)11-15(10-12)18(2,3)4/h9-11,13H,5-8H2,1-4H3,(H,19,20)(H,21,22)