4-heptadecylsulfanyl-3-methyl-butan-2-ol; phosphoric acid

Systemtic Name: 4-heptadecylsulfanyl-3-methyl-butan-2-ol; phosphoric acid Openeye Name: 4-heptadecylsulfanyl-3-methyl-butan-2-ol; phosphoric acid CAS Name: 4-(heptadecylthio)-3-methyl-2-butanol; phosphoric acid IUPAC Name: 4-heptadecylsulfanyl-3-methylbutan-2-ol; phosphoric acid Traditional Name: 4-(heptadecylthio)-3-methyl-butan-2-ol; phosphoric acid Formula: C22H49O5PS MolecularWeight: 456.660221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSCC(C)C(C)O.OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCSCC(C)C(C)O.OP(=O)(O)O

InChI

InChI=1S/C22H46OS.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(2)22(3)23;1-5(2,3)4/h21-23H,4-20H2,1-3H3;(H3,1,2,3,4)