2,2-diphosphonoethyl-methyl-[4-[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]butyl]sulfanium

Systemtic Name: 2,2-diphosphonoethyl-methyl-[4-[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]butyl]sulfanium Openeye Name: 2,2-diphosphonoethyl-[4-[4-(4-hydroxy-4-oxo-butyl)phenyl]butyl]-methyl-sulfonium CAS Name: 2,2-diphosphonoethyl-[4-[4-(4-hydroxy-4-oxobutyl)phenyl]butyl]-methylsulfonium IUPAC Name: 2,2-diphosphonoethyl-[4-[4-(4-hydroxy-4-oxobutyl)phenyl]butyl]-methylsulfanium Traditional Name: 2,2-diphosphonoethyl-[4-[4-(4-hydroxy-4-keto-butyl)phenyl]butyl]-methyl-sulfonium Formula: C17H29O8P2S+ MolecularWeight: 455.419882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O8P2S/c1-28(13-17(26(20,21)22)27(23,24)25)12-3-2-5-14-8-10-15(11-9-14)6-4-7-16(18)19/h8-11,17H,2-7,12-13H2,1H3,(H4-,18,19,20,21,22,23,24,25)/p+1