3-[4-[4-azanyl-4-(hydroxymethyl)-5-phosphonato-pentyl]-3-chloranyl-phenyl]sulfanylphenol

Systemtic Name: 3-[4-[4-azanyl-4-(hydroxymethyl)-5-phosphonato-pentyl]-3-chloranyl-phenyl]sulfanylphenol Openeye Name: 3-[4-[4-amino-4-(hydroxymethyl)-5-phosphonato-pentyl]-3-chloro-phenyl]sulfanylphenol CAS Name: 3-[[4-[4-amino-4-(hydroxymethyl)-5-phosphonatopentyl]-3-chlorophenyl]thio]phenol IUPAC Name: 3-[4-[4-amino-4-(hydroxymethyl)-5-phosphonatopentyl]-3-chlorophenyl]sulfanylphenol Traditional Name: 3-[[4-(4-amino-4-methylol-5-phosphonato-pentyl)-3-chloro-phenyl]thio]phenol Formula: C18H21ClNO5PS-2 MolecularWeight: 429.854801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CC(=C(C=C2)CCCC(CO)(CP(=O)([O-])[O-])N)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CC(=C(C=C2)CCCC(CO)(CP(=O)([O-])[O-])N)Cl)O

InChI

InChI=1S/C18H23ClNO5PS/c19-17-10-16(27-15-5-1-4-14(22)9-15)7-6-13(17)3-2-8-18(20,11-21)12-26(23,24)25/h1,4-7,9-10,21-22H,2-3,8,11-12,20H2,(H2,23,24,25)/p-2