6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-diethoxyphosphoryl-hexan-3-amine hydrochloride

Systemtic Name: 6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-diethoxyphosphoryl-hexan-3-amine hydrochloride Openeye Name: 6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-1-diethoxyphosphoryl-hexan-3-amine hydrochloride CAS Name: 6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-1-diethoxyphosphoryl-3-hexanamine hydrochloride IUPAC Name: 6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1-diethoxyphosphorylhexan-3-amine hydrochloride Traditional Name: [4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-(2-diethoxyphosphorylethyl)butyl]amine hydrochloride Formula: C29H38Cl2NO4PS MolecularWeight: 598.561081

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N)OCC.Cl

Isomeric SMILES

CCOP(=O)(CCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)N)OCC.Cl

InChI

InChI=1S/C29H37ClNO4PS.ClH/c1-3-34-36(32,35-4-2)19-18-25(31)13-8-12-24-16-17-28(21-29(24)30)37-27-15-9-14-26(20-27)33-22-23-10-6-5-7-11-23;/h5-7,9-11,14-17,20-21,25H,3-4,8,12-13,18-19,22,31H2,1-2H3;1H