[3-[(E)-2-nitroethenyl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [3-[(E)-2-nitroethenyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [3-[(E)-2-nitrovinyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [3-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [3-[(E)-2-nitroethenyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [3-[(E)-2-nitrovinyl]phenyl] ester Formula: C14H10BrNO5S MolecularWeight: 384.2019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C=C[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C14H10BrNO5S/c15-12-4-6-14(7-5-12)22(19,20)21-13-3-1-2-11(10-13)8-9-16(17)18/h1-10H/b9-8+