3,5-bis(2-methylhexan-2-yloxycarbonyl)benzenesulfonic acid

Systemtic Name: 3,5-bis(2-methylhexan-2-yloxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(1,1-dimethylpentoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[2-methylhexan-2-yloxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(2-methylhexan-2-yloxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(1,1-dimethylpentoxycarbonyl)besylic acid Formula: C22H34O7S MolecularWeight: 442.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)OC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC(C)(C)CCCC

Isomeric SMILES

CCCCC(C)(C)OC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC(C)(C)CCCC

InChI

InChI=1S/C22H34O7S/c1-7-9-11-21(3,4)28-19(23)16-13-17(15-18(14-16)30(25,26)27)20(24)29-22(5,6)12-10-8-2/h13-15H,7-12H2,1-6H3,(H,25,26,27)