[3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexyl]phosphonic acid

Systemtic Name: [3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]hexyl]phosphonic acid Openeye Name: [3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]hexyl]phosphonic acid CAS Name: [3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]hexyl]phosphonic acid IUPAC Name: [3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]hexyl]phosphonic acid Traditional Name: [3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]hexyl]phosphonic acid Formula: C25H29ClNO4PS MolecularWeight: 505.993821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(CCP(=O)(O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(CCP(=O)(O)O)N)Cl

InChI

InChI=1S/C25H29ClNO4PS/c26-25-17-24(13-12-20(25)8-4-9-21(27)14-15-32(28,29)30)33-23-11-5-10-22(16-23)31-18-19-6-2-1-3-7-19/h1-3,5-7,10-13,16-17,21H,4,8-9,14-15,18,27H2,(H2,28,29,30)