4-(Triphenylphosphonio)butane-1-sulfonate

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Catalog Number

ACM164982052

Product Name

Structure

CAS

164982-05-2

Category

Heterocyclic Organic Compound

Synonyms

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

IUPAC Name

4-triphenylphosphaniumylbutane-1-sulfonate

Molecular Weight

398.46

Molecular Formula

C22H23O3PS

Canonical SMILES

C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2;

InChI Key

RKQKXPDRWYNUGZ-UHFFFAOYSA-N

Complexity

465

Covalently-Bonded Unit Count

Exact Mass

398.11100

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

MDL Number

MFCD11656046

Monoisotopic Mass

398.111g/mol

Rotatable Bond Count

Topological Polar Surface Area

65.6A^2

MSDS

COA

Spec Sheet

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