4-[5-(1,2-dithiolan-3-yl)pentanoylamino]benzoic acid

Systemtic Name: 4-[5-(1,2-dithiolan-3-yl)pentanoylamino]benzoic acid Openeye Name: 4-[5-(dithiolan-3-yl)pentanoylamino]benzoic acid CAS Name: 4-[[5-(3-dithiolanyl)-1-oxopentyl]amino]benzoic acid IUPAC Name: 4-[5-(dithiolan-3-yl)pentanoylamino]benzoic acid Traditional Name: 4-[5-(dithiolan-3-yl)pentanoylamino]benzoic acid Formula: C15H19NO3S2 MolecularWeight: 325.44626

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CSSC1CCCCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19NO3S2/c17-14(4-2-1-3-13-9-10-20-21-13)16-12-7-5-11(6-8-12)15(18)19/h5-8,13H,1-4,9-10H2,(H,16,17)(H,18,19)