3-chloranyl-5-[[3-methyl-5-oxidaniumylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate; chromium

Systemtic Name: 3-chloranyl-5-[[3-methyl-5-oxidaniumylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate; chromium Openeye Name: 3-chloro-5-[[3-methyl-5-oxoniumylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-diene-1-sulfonate; chromium CAS Name: 3-chloro-5-[[3-methyl-5-oxoniumylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienesulfonate; chromium IUPAC Name: 3-chloro-5-[[3-methyl-5-oxoniumylidene-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate; chromium Traditional Name: 3-chloro-6-keto-5-[[3-methyl-5-oxoniumylidene-1-(3-sulfonatophenyl)-2-pyrazolin-4-yl]hydrazono]cyclohexa-1,3-diene-1-sulfonate; chromium Formula: C32H24Cl2CrN8O16S4-2 MolecularWeight: 1027.73906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[OH+])C1NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].CC1=NN(C(=[OH+])C1NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].[Cr]

Isomeric SMILES

CC1=NN(C(=[OH+])C1NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].CC1=NN(C(=[OH+])C1NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])Cl)C3=CC(=CC=C3)S(=O)(=O)[O-].[Cr]

InChI

InChI=1S/2C16H13ClN4O8S2.Cr/c2*1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;/h2*2-7,14,19H,1H3,(H,24,25,26)(H,27,28,29);/p-2