[2-(3-butylsulfonyloxyphenyl)-1-benzothiophen-6-yl] butane-1-sulfonate

Systemtic Name: [2-(3-butylsulfonyloxyphenyl)-1-benzothiophen-6-yl] butane-1-sulfonate Openeye Name: [2-(3-butylsulfonyloxyphenyl)benzothiophen-6-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(3-butylsulfonyloxyphenyl)-1-benzothiophen-6-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-(3-butylsulfonyloxyphenyl)benzothiophen-6-yl] ester Formula: C22H26O6S3 MolecularWeight: 482.63324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C=C(S2)C3=CC(=CC=C3)OS(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC2=C(C=C1)C=C(S2)C3=CC(=CC=C3)OS(=O)(=O)CCCC

InChI

InChI=1S/C22H26O6S3/c1-3-5-12-30(23,24)27-19-9-7-8-17(14-19)21-15-18-10-11-20(16-22(18)29-21)28-31(25,26)13-6-4-2/h7-11,14-16H,3-6,12-13H2,1-2H3