4-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(1-azocanyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(azocan-1-yl)-2-keto-ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(17-10-4-2-1-3-5-11-17)12-21-14-8-6-13(7-9-14)16(19)20/h6-9H,1-5,10-12H2,(H,19,20)