7-chloranyl-2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]quinoline-4-carboxylic acid

Systemtic Name: 7-chloranyl-2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]quinoline-4-carboxylic acid Openeye Name: 7-chloro-2-[(E)-(2-sulfooxyethylhydrazono)methyl]quinoline-4-carboxylic acid CAS Name: 7-chloro-2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]-4-quinolinecarboxylic acid IUPAC Name: 7-chloro-2-[(E)-(2-sulfooxyethylhydrazinylidene)methyl]quinoline-4-carboxylic acid Traditional Name: 7-chloro-2-[(E)-(2-sulfoxyethylhydrazono)methyl]cinchoninic acid Formula: C13H12ClN3O6S MolecularWeight: 373.76888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(C=C2C(=O)O)C=NNCCOS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(C=C2C(=O)O)/C=N/NCCOS(=O)(=O)O

InChI

InChI=1S/C13H12ClN3O6S/c14-8-1-2-10-11(13(18)19)6-9(17-12(10)5-8)7-16-15-3-4-23-24(20,21)22/h1-2,5-7,15H,3-4H2,(H,18,19)(H,20,21,22)/b16-7+