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

Systemtic Name: 3,5-bis(hexan-2-yloxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(1-methylpentoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[hexan-2-yloxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(hexan-2-yloxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(1-methylpentoxycarbonyl)besylic acid Formula: C20H30O7S MolecularWeight: 414.513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O7S/c1-5-7-9-14(3)26-19(21)16-11-17(13-18(12-16)28(23,24)25)20(22)27-15(4)10-8-6-2/h11-15H,5-10H2,1-4H3,(H,23,24,25)