2,2-diphosphonoethyl-methyl-(4-phenylbutyl)sulfanium

Systemtic Name: 2,2-diphosphonoethyl-methyl-(4-phenylbutyl)sulfanium Openeye Name: 2,2-diphosphonoethyl-methyl-(4-phenylbutyl)sulfonium CAS Name: 2,2-diphosphonoethyl-methyl-(4-phenylbutyl)sulfonium IUPAC Name: 2,2-diphosphonoethyl-methyl-(4-phenylbutyl)sulfanium Traditional Name: 2,2-diphosphonoethyl-methyl-(4-phenylbutyl)sulfonium Formula: C13H23O6P2S+ MolecularWeight: 369.330642

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCCC1=CC=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C[S+](CCCCC1=CC=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H22O6P2S/c1-22(11-13(20(14,15)16)21(17,18)19)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H3-,14,15,16,17,18,19)/p+1