3-tert-butyl-5-(2-carboxy-5-sulfanyl-pentyl)benzoic acid

Systemtic Name: 3-tert-butyl-5-(2-carboxy-5-sulfanyl-pentyl)benzoic acid Openeye Name: 3-tert-butyl-5-(2-carboxy-5-sulfanyl-pentyl)benzoic acid CAS Name: 3-tert-butyl-5-(2-carboxy-5-mercaptopentyl)benzoic acid IUPAC Name: 3-tert-butyl-5-(2-carboxy-5-sulfanylpentyl)benzoic acid Traditional Name: 3-tert-butyl-5-(2-carboxy-5-mercapto-pentyl)benzoic acid Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC(CCCS)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC(CCCS)C(=O)O)C(=O)O

InChI

InChI=1S/C17H24O4S/c1-17(2,3)14-9-11(8-13(10-14)16(20)21)7-12(15(18)19)5-4-6-22/h8-10,12,22H,4-7H2,1-3H3,(H,18,19)(H,20,21)