5-chloranyl-1-(2-hydroxyphenyl)-5-(1-oxidanidylpyridin-1-ium-2-yl)-2-sulfanyl-pentan-1-one

Systemtic Name: 5-chloranyl-1-(2-hydroxyphenyl)-5-(1-oxidanidylpyridin-1-ium-2-yl)-2-sulfanyl-pentan-1-one Openeye Name: 5-chloro-1-(2-hydroxyphenyl)-5-(1-oxidopyridin-1-ium-2-yl)-2-sulfanyl-pentan-1-one CAS Name: 5-chloro-1-(2-hydroxyphenyl)-2-mercapto-5-(1-oxido-2-pyridin-1-iumyl)-1-pentanone IUPAC Name: 5-chloro-1-(2-hydroxyphenyl)-5-(1-oxidopyridin-1-ium-2-yl)-2-sulfanylpentan-1-one Traditional Name: 5-chloro-1-(2-hydroxyphenyl)-2-mercapto-5-(1-oxidopyridin-1-ium-2-yl)pentan-1-one Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(CCC(C2=CC=CC=[N+]2[O-])Cl)S)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(CCC(C2=CC=CC=[N+]2[O-])Cl)S)O

InChI

InChI=1S/C16H16ClNO3S/c17-12(13-6-3-4-10-18(13)21)8-9-15(22)16(20)11-5-1-2-7-14(11)19/h1-7,10,12,15,19,22H,8-9H2