[(E)-1-diphenylphosphorylbutan-2-ylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-diphenylphosphorylbutan-2-ylideneamino] 4-methylbenzenesulfonate Openeye Name: [(E)-1-(diphenylphosphorylmethyl)propylideneamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-diphenylphosphorylbutan-2-ylideneamino] ester IUPAC Name: [(E)-1-diphenylphosphorylbutan-2-ylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-(diphenylphosphorylmethyl)propylideneamino] ester Formula: C23H24NO4PS MolecularWeight: 441.479721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOS(=O)(=O)C1=CC=C(C=C1)C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC/C(=N\OS(=O)(=O)C1=CC=C(C=C1)C)/CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H24NO4PS/c1-3-20(24-28-30(26,27)23-16-14-19(2)15-17-23)18-29(25,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3/b24-20+