methanamine; (2-methyl-1-oxidanyl-5-phenylsulfanyl-1-phosphono-pentyl)phosphonic acid

Systemtic Name: methanamine; (2-methyl-1-oxidanyl-5-phenylsulfanyl-1-phosphono-pentyl)phosphonic acid Openeye Name: (1-hydroxy-2-methyl-5-phenylsulfanyl-1-phosphono-pentyl)phosphonic acid; methanamine CAS Name: [1-hydroxy-2-methyl-5-(phenylthio)-1-phosphonopentyl]phosphonic acid; methanamine IUPAC Name: (1-hydroxy-2-methyl-5-phenylsulfanyl-1-phosphonopentyl)phosphonic acid; methanamine Traditional Name: [1-hydroxy-2-methyl-5-(phenylthio)-1-phosphono-pentyl]phosphonic acid; methylamine Formula: C13H25NO7P2S MolecularWeight: 401.352622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCSC1=CC=CC=C1)C(O)(P(=O)(O)O)P(=O)(O)O.CN

Isomeric SMILES

CC(CCCSC1=CC=CC=C1)C(O)(P(=O)(O)O)P(=O)(O)O.CN

InChI

InChI=1S/C12H20O7P2S.CH5N/c1-10(12(13,20(14,15)16)21(17,18)19)6-5-9-22-11-7-3-2-4-8-11;1-2/h2-4,7-8,10,13H,5-6,9H2,1H3,(H2,14,15,16)(H2,17,18,19);2H2,1H3