2-(2-carboxy-7-sulfanyl-heptyl)benzoic acid

Systemtic Name: 2-(2-carboxy-7-sulfanyl-heptyl)benzoic acid Openeye Name: 2-(2-carboxy-7-sulfanyl-heptyl)benzoic acid CAS Name: 2-(2-carboxy-7-mercaptoheptyl)benzoic acid IUPAC Name: 2-(2-carboxy-7-sulfanylheptyl)benzoic acid Traditional Name: 2-(2-carboxy-7-mercapto-heptyl)benzoic acid Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(CCCCCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC(CCCCCS)C(=O)O)C(=O)O

InChI

InChI=1S/C15H20O4S/c16-14(17)12(7-2-1-5-9-20)10-11-6-3-4-8-13(11)15(18)19/h3-4,6,8,12,20H,1-2,5,7,9-10H2,(H,16,17)(H,18,19)