2,3-bis(butoxycarbonyl)-4-phenyl-benzenesulfonic acid

Systemtic Name: 2,3-bis(butoxycarbonyl)-4-phenyl-benzenesulfonic acid Openeye Name: 2,3-bis(butoxycarbonyl)-4-phenyl-benzenesulfonic acid CAS Name: 2,3-bis[butoxy(oxo)methyl]-4-phenylbenzenesulfonic acid IUPAC Name: 2,3-bis(butoxycarbonyl)-4-phenylbenzenesulfonic acid Traditional Name: 2,3-bis(butoxycarbonyl)-4-phenyl-besylic acid Formula: C22H26O7S MolecularWeight: 434.50264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1C(=O)OCCCC)S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1C(=O)OCCCC)S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H26O7S/c1-3-5-14-28-21(23)19-17(16-10-8-7-9-11-16)12-13-18(30(25,26)27)20(19)22(24)29-15-6-4-2/h7-13H,3-6,14-15H2,1-2H3,(H,25,26,27)