[[ethoxy(oxidanyl)phosphoryl]-(4-phenylsulfanylbutylamino)methyl]phosphonic acid

Systemtic Name: [[ethoxy(oxidanyl)phosphoryl]-(4-phenylsulfanylbutylamino)methyl]phosphonic acid Openeye Name: [[ethoxy(hydroxy)phosphoryl]-(4-phenylsulfanylbutylamino)methyl]phosphonic acid CAS Name: [[ethoxy(hydroxy)phosphoryl]-[4-(phenylthio)butylamino]methyl]phosphonic acid IUPAC Name: [[ethoxy(hydroxy)phosphoryl]-(4-phenylsulfanylbutylamino)methyl]phosphonic acid Traditional Name: [[ethoxy(hydroxy)phosphoryl]-[4-(phenylthio)butylamino]methyl]phosphonic acid Formula: C13H23NO6P2S MolecularWeight: 383.337342

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(NCCCCSC1=CC=CC=C1)P(=O)(O)O)O

Isomeric SMILES

CCOP(=O)(C(NCCCCSC1=CC=CC=C1)P(=O)(O)O)O

InChI

InChI=1S/C13H23NO6P2S/c1-2-20-22(18,19)13(21(15,16)17)14-10-6-7-11-23-12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,18,19)(H2,15,16,17)