12-dibutoxyphosphoryldodecyl 4-methylbenzenesulfonate

Systemtic Name: 12-dibutoxyphosphoryldodecyl 4-methylbenzenesulfonate Openeye Name: 12-dibutoxyphosphoryldodecyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 12-dibutoxyphosphoryldodecyl ester IUPAC Name: 12-dibutoxyphosphoryldodecyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 12-dibutoxyphosphoryldodecyl ester Formula: C27H49O6PS MolecularWeight: 532.713121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)OCCCC

Isomeric SMILES

CCCCOP(=O)(CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)OCCCC

InChI

InChI=1S/C27H49O6PS/c1-4-6-22-31-34(28,32-23-7-5-2)25-17-15-13-11-9-8-10-12-14-16-24-33-35(29,30)27-20-18-26(3)19-21-27/h18-21H,4-17,22-25H2,1-3H3