4-[4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]besylic acid Formula: C18H15BrN2O6S MolecularWeight: 467.2905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C18H15BrN2O6S/c1-10-14(7-11-8-15(19)17(22)16(9-11)27-2)18(23)21(20-10)12-3-5-13(6-4-12)28(24,25)26/h3-9,20H,1-2H3,(H,24,25,26)