5,5-bis(diethoxyphosphoryl)pentyl 4-methylbenzenesulfonate

Systemtic Name: 5,5-bis(diethoxyphosphoryl)pentyl 4-methylbenzenesulfonate Openeye Name: 5,5-bis(diethoxyphosphoryl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5,5-bis(diethoxyphosphoryl)pentyl ester IUPAC Name: 5,5-bis(diethoxyphosphoryl)pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5,5-bis(diethoxyphosphoryl)pentyl ester Formula: C20H36O9P2S MolecularWeight: 514.506962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCCOS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCCCOS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C20H36O9P2S/c1-6-25-30(21,26-7-2)20(31(22,27-8-3)28-9-4)12-10-11-17-29-32(23,24)19-15-13-18(5)14-16-19/h13-16,20H,6-12,17H2,1-5H3