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

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[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=CC=C2C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(17-10-6-2-1-3-7-11-17)12-21-14-9-5-4-8-13(14)16(19)20/h4-5,8-9H,1-3,6-7,10-12H2,(H,19,20)