3-[[5-methyl-3-oxidanylidene-2-[4-(2-sulfooxyethylsulfonyl)phenyl]-1H-pyrazol-4-yl]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3-[[5-methyl-3-oxidanylidene-2-[4-(2-sulfooxyethylsulfonyl)phenyl]-1H-pyrazol-4-yl]hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-[[5-methyl-3-oxo-2-[4-(2-sulfooxyethylsulfonyl)phenyl]-1H-pyrazol-4-yl]hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-[[5-methyl-3-oxo-2-[4-(2-sulfooxyethylsulfonyl)phenyl]-1H-pyrazol-4-yl]hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-[[5-methyl-3-oxo-2-[4-(2-sulfooxyethylsulfonyl)phenyl]-1H-pyrazol-4-yl]hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 4-keto-3-[[5-keto-3-methyl-1-[4-(2-sulfoxyethylsulfonyl)phenyl]-3-pyrazolin-4-yl]hydrazono]cyclohexa-1,5-diene-1-sulfonic acid Formula: C18H18N4O11S3 MolecularWeight: 562.55072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)NN=C3C=C(C=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)NN=C3C=C(C=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C18H18N4O11S3/c1-11-17(20-19-15-10-14(35(27,28)29)6-7-16(15)23)18(24)22(21-11)12-2-4-13(5-3-12)34(25,26)9-8-33-36(30,31)32/h2-7,10,20-21H,8-9H2,1H3,(H,27,28,29)(H,30,31,32)