[6-bromanyl-4-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]pyridin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-bromanyl-4-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]pyridin-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-bromo-4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-3-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-bromo-4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-3-pyridinyl] ester IUPAC Name: [6-bromo-4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]pyridin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-bromo-4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-3-pyridyl] ester Formula: C21H15Br2NO5S MolecularWeight: 553.2205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=C(C=C2C=CC3=CC4=C(C=C3Br)OCO4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=C(C=C2/C=C\C3=CC4=C(C=C3Br)OCO4)Br

InChI

InChI=1S/C21H15Br2NO5S/c1-13-2-6-16(7-3-13)30(25,26)29-20-11-24-21(23)9-15(20)5-4-14-8-18-19(10-17(14)22)28-12-27-18/h2-11H,12H2,1H3/b5-4-