sodium ethyl [(4-phenylsulfanylbutylamino)-phosphonooxy-methyl] phosphate

Systemtic Name: sodium ethyl [(4-phenylsulfanylbutylamino)-phosphonooxy-methyl] phosphate Openeye Name: sodium ethyl [(4-phenylsulfanylbutylamino)-phosphonooxy-methyl] phosphate CAS Name: sodium ethyl [[4-(phenylthio)butylamino]-phosphonooxymethyl] phosphate IUPAC Name: sodium ethyl [(4-phenylsulfanylbutylamino)-phosphonooxymethyl] phosphate Traditional Name: sodium ethyl [[4-(phenylthio)butylamino]-phosphonooxy-methyl] phosphate Formula: C13H22NNaO8P2S MolecularWeight: 437.317972

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)([O-])OC(NCCCCSC1=CC=CC=C1)OP(=O)(O)O.[Na+]

Isomeric SMILES

CCOP(=O)([O-])OC(NCCCCSC1=CC=CC=C1)OP(=O)(O)O.[Na+]

InChI

InChI=1S/C13H23NO8P2S.Na/c1-2-20-24(18,19)22-13(21-23(15,16)17)14-10-6-7-11-25-12-8-4-3-5-9-12;/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,18,19)(H2,15,16,17);/q;+1/p-1