[3-(3-azanylpropylamino)-2-methyl-propyl]sulfanylphosphonic acid pentahydrate

Systemtic Name: [3-(3-azanylpropylamino)-2-methyl-propyl]sulfanylphosphonic acid pentahydrate Openeye Name: [3-(3-aminopropylamino)-2-methyl-propyl]sulfanylphosphonic acid pentahydrate CAS Name: [[3-(3-aminopropylamino)-2-methylpropyl]thio]phosphonic acid pentahydrate IUPAC Name: [3-(3-aminopropylamino)-2-methylpropyl]sulfanylphosphonic acid pentahydrate Traditional Name: [[3-(3-aminopropylamino)-2-methyl-propyl]thio]phosphonic acid pentahydrate Formula: C14H48N4O11P2S2 MolecularWeight: 574.628642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCN)CSP(=O)(O)O.CC(CNCCCN)CSP(=O)(O)O.O.O.O.O.O

Isomeric SMILES

CC(CNCCCN)CSP(=O)(O)O.CC(CNCCCN)CSP(=O)(O)O.O.O.O.O.O

InChI

InChI=1S/2C7H19N2O3PS.5H2O/c2*1-7(5-9-4-2-3-8)6-14-13(10,11)12;;;;;/h2*7,9H,2-6,8H2,1H3,(H2,10,11,12);5*1H2