[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]phenyl] ester Formula: C22H15ClO6S MolecularWeight: 442.8689

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClO6S/c23-17-5-9-19(10-6-17)30(25,26)29-18-7-3-16(4-8-18)20(24)11-1-15-2-12-21-22(13-15)28-14-27-21/h1-13H,14H2/b11-1+