2-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-octadecylsulfanyl-propan-1-ol; phosphoric acid

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-octadecylsulfanyl-propan-1-ol; phosphoric acid Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methyl]-3-octadecylsulfanyl-propan-1-ol; phosphoric acid CAS Name: 2-[(5-chloro-2-methoxyphenyl)methyl]-3-(octadecylthio)-1-propanol; phosphoric acid IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methyl]-3-octadecylsulfanylpropan-1-ol; phosphoric acid Traditional Name: 2-(5-chloro-2-methoxy-benzyl)-3-(stearylthio)propan-1-ol; phosphoric acid Formula: C29H54ClO6PS MolecularWeight: 597.227221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CC1=C(C=CC(=C1)Cl)OC)CO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CC1=C(C=CC(=C1)Cl)OC)CO.OP(=O)(O)O

InChI

InChI=1S/C29H51ClO2S.H3O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-25-26(24-31)22-27-23-28(30)19-20-29(27)32-2;1-5(2,3)4/h19-20,23,26,31H,3-18,21-22,24-25H2,1-2H3;(H3,1,2,3,4)