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

Systemtic Name: 3-tert-butyl-5-(2-carboxy-5-sulfanyl-hexyl)benzoic acid Openeye Name: 3-tert-butyl-5-(2-carboxy-5-sulfanyl-hexyl)benzoic acid CAS Name: 3-tert-butyl-5-(2-carboxy-5-mercaptohexyl)benzoic acid IUPAC Name: 3-tert-butyl-5-(2-carboxy-5-sulfanylhexyl)benzoic acid Traditional Name: 3-tert-butyl-5-(2-carboxy-5-mercapto-hexyl)benzoic acid Formula: C18H26O4S MolecularWeight: 338.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CC1=CC(=CC(=C1)C(=O)O)C(C)(C)C)C(=O)O)S

Isomeric SMILES

CC(CCC(CC1=CC(=CC(=C1)C(=O)O)C(C)(C)C)C(=O)O)S

InChI

InChI=1S/C18H26O4S/c1-11(23)5-6-13(16(19)20)7-12-8-14(17(21)22)10-15(9-12)18(2,3)4/h8-11,13,23H,5-7H2,1-4H3,(H,19,20)(H,21,22)