2-(hexadecylsulfanylmethyl)-3-phenyl-propan-1-ol; phosphoric acid

Systemtic Name: 2-(hexadecylsulfanylmethyl)-3-phenyl-propan-1-ol; phosphoric acid Openeye Name: 2-benzyl-3-hexadecylsulfanyl-propan-1-ol; phosphoric acid CAS Name: 2-[(hexadecylthio)methyl]-3-phenyl-1-propanol; phosphoric acid IUPAC Name: 2-benzyl-3-hexadecylsulfanylpropan-1-ol; phosphoric acid Traditional Name: 2-benzyl-3-(cetylthio)propan-1-ol; phosphoric acid Formula: C26H49O5PS MolecularWeight: 504.703021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC1=CC=CC=C1)CO.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC1=CC=CC=C1)CO.OP(=O)(O)O

InChI

InChI=1S/C26H46OS.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-24-26(23-27)22-25-19-16-15-17-20-25;1-5(2,3)4/h15-17,19-20,26-27H,2-14,18,21-24H2,1H3;(H3,1,2,3,4)