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

Systemtic Name: [(E)-3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-methyl-hex-1-enyl]phosphonic acid Openeye Name: [(E)-3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-3-methyl-hex-1-enyl]phosphonic acid CAS Name: [(E)-3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-3-methylhex-1-enyl]phosphonic acid IUPAC Name: [(E)-3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-3-methylhex-1-enyl]phosphonic acid Traditional Name: [(E)-3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-3-methyl-hex-1-enyl]phosphonic acid Formula: C26H29ClNO4PS MolecularWeight: 518.004521

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C=CP(=O)(O)O)N

Isomeric SMILES

CC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(/C=C/P(=O)(O)O)N

InChI

InChI=1S/C26H29ClNO4PS/c1-26(28,15-16-33(29,30)31)14-6-9-21-12-13-24(18-25(21)27)34-23-11-5-10-22(17-23)32-19-20-7-3-2-4-8-20/h2-5,7-8,10-13,15-18H,6,9,14,19,28H2,1H3,(H2,29,30,31)/b16-15+