2,5-bis(phenylcarbonyloxy)benzenesulfonic acid; N-ethylethanamine

Systemtic Name: 2,5-bis(phenylcarbonyloxy)benzenesulfonic acid; N-ethylethanamine Openeye Name: 2,5-dibenzoyloxybenzenesulfonic acid; N-ethylethanamine CAS Name: 2,5-dibenzoyloxybenzenesulfonic acid; N-ethylethanamine IUPAC Name: 2,5-dibenzoyloxybenzenesulfonic acid; N-ethylethanamine Traditional Name: 2,5-dibenzoyloxybesylic acid; diethylamine Formula: C24H25NO7S MolecularWeight: 471.5228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCNCC.C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C20H14O7S.C4H11N/c21-19(14-7-3-1-4-8-14)26-16-11-12-17(18(13-16)28(23,24)25)27-20(22)15-9-5-2-6-10-15;1-3-5-4-2/h1-13H,(H,23,24,25);5H,3-4H2,1-2H3