[2,3-bis(butylsulfonyloxy)-4-ethanoyl-phenyl] butane-1-sulfonate

Systemtic Name: [2,3-bis(butylsulfonyloxy)-4-ethanoyl-phenyl] butane-1-sulfonate Openeye Name: [4-acetyl-2,3-bis(butylsulfonyloxy)phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [4-acetyl-2,3-bis(butylsulfonyloxy)phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [4-acetyl-2,3-bis(butylsulfonyloxy)phenyl] ester Formula: C20H32O10S3 MolecularWeight: 528.65708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=C(C(=C(C=C1)C(=O)C)OS(=O)(=O)CCCC)OS(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)OC1=C(C(=C(C=C1)C(=O)C)OS(=O)(=O)CCCC)OS(=O)(=O)CCCC

InChI

InChI=1S/C20H32O10S3/c1-5-8-13-31(22,23)28-18-12-11-17(16(4)21)19(29-32(24,25)14-9-6-2)20(18)30-33(26,27)15-10-7-3/h11-12H,5-10,13-15H2,1-4H3