ethyl-(3-oxidanyl-3,3-diphosphono-propyl)-(3-phenoxypropyl)sulfanium

Systemtic Name: ethyl-(3-oxidanyl-3,3-diphosphono-propyl)-(3-phenoxypropyl)sulfanium Openeye Name: ethyl-(3-hydroxy-3,3-diphosphono-propyl)-(3-phenoxypropyl)sulfonium CAS Name: ethyl-(3-hydroxy-3,3-diphosphonopropyl)-(3-phenoxypropyl)sulfonium IUPAC Name: ethyl-(3-hydroxy-3,3-diphosphonopropyl)-(3-phenoxypropyl)sulfanium Traditional Name: ethyl-(3-hydroxy-3,3-diphosphono-propyl)-(3-phenoxypropyl)sulfonium Formula: C14H25O8P2S+ MolecularWeight: 415.356022

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+](CCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC[S+](CCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C14H24O8P2S/c1-2-25(11-6-10-22-13-7-4-3-5-8-13)12-9-14(15,23(16,17)18)24(19,20)21/h3-5,7-8,15H,2,6,9-12H2,1H3,(H3-,16,17,18,19,20,21)/p+1