3-(4-methylphenyl)sulfonyl-1,1,1-triphenyl-docosane-2,3,4-triol

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1,1,1-triphenyl-docosane-2,3,4-triol Openeye Name: 1,1,1-triphenyl-3-(p-tolylsulfonyl)docosane-2,3,4-triol CAS Name: 3-(4-methylphenyl)sulfonyl-1,1,1-triphenyldocosane-2,3,4-triol IUPAC Name: 3-(4-methylphenyl)sulfonyl-1,1,1-triphenyldocosane-2,3,4-triol Traditional Name: 1,1,1-triphenyl-3-tosyl-docosane-2,3,4-triol Formula: C47H64O5S MolecularWeight: 741.07306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)(O)S(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)(O)S(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C47H64O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-44(48)47(50,53(51,52)43-37-35-39(2)36-38-43)45(49)46(40-28-21-18-22-29-40,41-30-23-19-24-31-41)42-32-25-20-26-33-42/h18-26,28-33,35-38,44-45,48-50H,3-17,27,34H2,1-2H3