4-(5-azanyl-6-sulfanyl-hexoxy)benzoic acid

Systemtic Name: 4-(5-azanyl-6-sulfanyl-hexoxy)benzoic acid Openeye Name: 4-(5-amino-6-sulfanyl-hexoxy)benzoic acid CAS Name: 4-(5-amino-6-mercaptohexoxy)benzoic acid IUPAC Name: 4-(5-amino-6-sulfanylhexoxy)benzoic acid Traditional Name: 4-(5-amino-6-mercapto-hexoxy)benzoic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCCC(CS)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCCC(CS)N

InChI

InChI=1S/C13H19NO3S/c14-11(9-18)3-1-2-8-17-12-6-4-10(5-7-12)13(15)16/h4-7,11,18H,1-3,8-9,14H2,(H,15,16)