[(E)-3-azanyl-2-(4-chlorophenyl)-6-(3-phenylmethoxyphenyl)sulfanyl-hex-1-enyl]phosphonic acid

Systemtic Name: [(E)-3-azanyl-2-(4-chlorophenyl)-6-(3-phenylmethoxyphenyl)sulfanyl-hex-1-enyl]phosphonic acid Openeye Name: [(E)-3-amino-6-(3-benzyloxyphenyl)sulfanyl-2-(4-chlorophenyl)hex-1-enyl]phosphonic acid CAS Name: [(E)-3-amino-2-(4-chlorophenyl)-6-[(3-phenylmethoxyphenyl)thio]hex-1-enyl]phosphonic acid IUPAC Name: [(E)-3-amino-2-(4-chlorophenyl)-6-(3-phenylmethoxyphenyl)sulfanylhex-1-enyl]phosphonic acid Traditional Name: [(E)-3-amino-6-[(3-benzoxyphenyl)thio]-2-(4-chlorophenyl)hex-1-enyl]phosphonic acid Formula: C25H27ClNO4PS MolecularWeight: 503.977941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SCCCC(C(=CP(=O)(O)O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SCCCC(/C(=C/P(=O)(O)O)/C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C25H27ClNO4PS/c26-21-13-11-20(12-14-21)24(18-32(28,29)30)25(27)10-5-15-33-23-9-4-8-22(16-23)31-17-19-6-2-1-3-7-19/h1-4,6-9,11-14,16,18,25H,5,10,15,17,27H2,(H2,28,29,30)/b24-18+