2-[(2-hexadecylphenyl)methyl]-1-methylsulfonyl-propane-1,2,3-triol

Systemtic Name: 2-[(2-hexadecylphenyl)methyl]-1-methylsulfonyl-propane-1,2,3-triol Openeye Name: 2-[(2-hexadecylphenyl)methyl]-1-methylsulfonyl-propane-1,2,3-triol CAS Name: 2-[(2-hexadecylphenyl)methyl]-1-methylsulfonylpropane-1,2,3-triol IUPAC Name: 2-[(2-hexadecylphenyl)methyl]-1-methylsulfonylpropane-1,2,3-triol Traditional Name: 2-(2-cetylbenzyl)-1-mesyl-propane-1,2,3-triol Formula: C27H48O5S MolecularWeight: 484.73202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1CC(CO)(C(O)S(=O)(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1CC(CO)(C(O)S(=O)(=O)C)O

InChI

InChI=1S/C27H48O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-17-18-21-25(24)22-27(30,23-28)26(29)33(2,31)32/h17-18,20-21,26,28-30H,3-16,19,22-23H2,1-2H3