5-chloranyl-3-[(2E)-2-[4-methyl-2-oxidanylidene-1-(3-sulfophenyl)pyrrol-3-ylidene]hydrazinyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-chloranyl-3-[(2E)-2-[4-methyl-2-oxidanylidene-1-(3-sulfophenyl)pyrrol-3-ylidene]hydrazinyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-chloro-2-hydroxy-3-[(2E)-2-[4-methyl-2-oxo-1-(3-sulfophenyl)pyrrol-3-ylidene]hydrazino]benzenesulfonic acid CAS Name: 5-chloro-2-hydroxy-3-[(2E)-2-[4-methyl-2-oxo-1-(3-sulfophenyl)-3-pyrrolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 5-chloro-2-hydroxy-3-[(2E)-2-[4-methyl-2-oxo-1-(3-sulfophenyl)pyrrol-3-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 5-chloro-2-hydroxy-3-[(N'E)-N'-[2-keto-4-methyl-1-(3-sulfophenyl)-2-pyrrolin-3-ylidene]hydrazino]besylic acid Formula: C17H14ClN3O8S2 MolecularWeight: 487.89136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C1=NNC2=CC(=CC(=C2O)S(=O)(=O)O)Cl)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=CN(C(=O)/C1=N/NC2=CC(=CC(=C2O)S(=O)(=O)O)Cl)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14ClN3O8S2/c1-9-8-21(11-3-2-4-12(7-11)30(24,25)26)17(23)15(9)20-19-13-5-10(18)6-14(16(13)22)31(27,28)29/h2-8,19,22H,1H3,(H,24,25,26)(H,27,28,29)/b20-15+