diphenyl 3-bromanyl-6-(1-formamido-3-oxidanylidene-propyl)benzene-1,2-disulfonate

Systemtic Name: diphenyl 3-bromanyl-6-(1-formamido-3-oxidanylidene-propyl)benzene-1,2-disulfonate Openeye Name: diphenyl 3-bromo-6-(1-formamido-3-oxo-propyl)benzene-1,2-disulfonate CAS Name: 3-bromo-6-(1-formamido-3-oxopropyl)benzene-1,2-disulfonic acid diphenyl ester IUPAC Name: diphenyl 3-bromo-6-(1-formamido-3-oxopropyl)benzene-1,2-disulfonate Traditional Name: 3-bromo-6-(1-formamido-3-keto-propyl)benzene-1,2-disulfonic acid diphenyl ester Formula: C22H18BrNO8S2 MolecularWeight: 568.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)Br)C(CC=O)NC=O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)Br)C(CC=O)NC=O

InChI

InChI=1S/C22H18BrNO8S2/c23-19-12-11-18(20(13-14-25)24-15-26)21(33(27,28)31-16-7-3-1-4-8-16)22(19)34(29,30)32-17-9-5-2-6-10-17/h1-12,14-15,20H,13H2,(H,24,26)