3,5-bis(2-ethylhexoxycarbonyl)benzenesulfonic acid

Systemtic Name: 3,5-bis(2-ethylhexoxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(2-ethylhexoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[2-ethylhexoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(2-ethylhexoxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(2-ethylhexoxycarbonyl)besylic acid Formula: C24H38O7S MolecularWeight: 470.61932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H38O7S/c1-5-9-11-18(7-3)16-30-23(25)20-13-21(15-22(14-20)32(27,28)29)24(26)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,27,28,29)