2-[(4Z)-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-[(4Z)-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-[(4Z)-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-[(4Z)-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-[(4Z)-4-[[1-(4-dimethylaminophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-[(4Z)-4-[[1-(4-dimethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]-4-(trioxidanylthio)besylic acid Formula: C25H26N4O7S2 MolecularWeight: 558.62654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)C=C3C(=NN(C3=O)C4=C(C=CC(=C4)SOOO)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)/C=C\3/C(=NN(C3=O)C4=C(C=CC(=C4)SOOO)S(=O)(=O)O)C

InChI

InChI=1S/C25H26N4O7S2/c1-15-12-18(17(3)28(15)20-8-6-19(7-9-20)27(4)5)13-22-16(2)26-29(25(22)30)23-14-21(37-36-35-31)10-11-24(23)38(32,33)34/h6-14,31H,1-5H3,(H,32,33,34)/b22-13-