1-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-16-phenyl-hexadecan-2-one

Systemtic Name: 1-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-16-phenyl-hexadecan-2-one Openeye Name: 1-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-16-phenyl-hexadecan-2-one CAS Name: 1-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-16-phenyl-2-hexadecanone IUPAC Name: 1-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-16-phenylhexadecan-2-one Traditional Name: 1-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-16-phenyl-hexadecan-2-one Formula: C36H46O5S MolecularWeight: 590.81244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC(=O)CCCCCCCCCCCCCCC4=CC=CC=C4)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC(=O)CCCCCCCCCCCCCCC4=CC=CC=C4)OCO3

InChI

InChI=1S/C36H46O5S/c1-42(38,39)33-23-21-30(22-24-33)34-27-36-35(40-28-41-36)26-31(34)25-32(37)20-16-11-9-7-5-3-2-4-6-8-10-13-17-29-18-14-12-15-19-29/h12,14-15,18-19,21-24,26-27H,2-11,13,16-17,20,25,28H2,1H3