4-[[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid Openeye Name: 4-[[(Z)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid CAS Name: 4-[[(Z)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid Traditional Name: 4-[[(Z)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]besylic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C2C=C(C=CC2=O)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/C=C\2/C=C(C=CC2=O)Br)S(=O)(=O)O

InChI

InChI=1S/C13H10BrNO4S/c14-10-1-6-13(16)9(7-10)8-15-11-2-4-12(5-3-11)20(17,18)19/h1-8,15H,(H,17,18,19)/b9-8-