3,5-bis(octan-3-yloxycarbonyl)benzenesulfonic acid

Systemtic Name: 3,5-bis(octan-3-yloxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(1-ethylhexoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[octan-3-yloxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(octan-3-yloxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(1-ethylhexoxycarbonyl)besylic acid Formula: C24H38O7S MolecularWeight: 470.61932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O7S/c1-5-9-11-13-20(7-3)30-23(25)18-15-19(17-22(16-18)32(27,28)29)24(26)31-21(8-4)14-12-10-6-2/h15-17,20-21H,5-14H2,1-4H3,(H,27,28,29)