disodium 4-[(4E)-5-azanylidene-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium 4-[(4E)-5-azanylidene-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-pyrazol-1-yl]benzenesulfonate Openeye Name: disodium 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]-3-methyl-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methyl-1-pyrazolyl]benzenesulfonate IUPAC Name: disodium 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-3-methylpyrazol-1-yl]benzenesulfonate Traditional Name: disodium 4-[(4E)-5-imino-4-[[2-methoxy-5-(2-sulfatoethylsulfonyl)phenyl]hydrazono]-3-methyl-2-pyrazolin-1-yl]besylate Formula: C19H19N5Na2O10S3 MolecularWeight: 619.5562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=NNC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC\1=NN(C(=N)/C1=N/NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H21N5O10S3.2Na/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,20-21H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2/b20-19?,22-18+;;