4-[(E)-5-(3-methylthiophen-2-yl)-5-phenyl-pent-4-enyl]benzenesulfonate

Systemtic Name: 4-[(E)-5-(3-methylthiophen-2-yl)-5-phenyl-pent-4-enyl]benzenesulfonate Openeye Name: 4-[(E)-5-(3-methyl-2-thienyl)-5-phenyl-pent-4-enyl]benzenesulfonate CAS Name: 4-[(E)-5-(3-methyl-2-thiophenyl)-5-phenylpent-4-enyl]benzenesulfonate IUPAC Name: 4-[(E)-5-(3-methylthiophen-2-yl)-5-phenylpent-4-enyl]benzenesulfonate Traditional Name: 4-[(E)-5-(3-methyl-2-thienyl)-5-phenyl-pent-4-enyl]besylate Formula: C22H21O3S2- MolecularWeight: 397.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCCC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)/C(=C/CCCC2=CC=C(C=C2)S(=O)(=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C22H22O3S2/c1-17-15-16-26-22(17)21(19-8-3-2-4-9-19)10-6-5-7-18-11-13-20(14-12-18)27(23,24)25/h2-4,8-16H,5-7H2,1H3,(H,23,24,25)/p-1/b21-10+