5-hexadecylsulfonyl-4-methyl-isoindole-1,3-dione

Systemtic Name: 5-hexadecylsulfonyl-4-methyl-isoindole-1,3-dione Openeye Name: 5-hexadecylsulfonyl-4-methyl-isoindoline-1,3-dione CAS Name: 5-hexadecylsulfonyl-4-methylisoindole-1,3-dione IUPAC Name: 5-hexadecylsulfonyl-4-methylisoindole-1,3-dione Traditional Name: 5-cetylsulfonyl-4-methyl-isoindoline-1,3-quinone Formula: C25H39NO4S MolecularWeight: 449.64646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C2=C(C=C1)C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C2=C(C=C1)C(=O)NC2=O)C

InChI

InChI=1S/C25H39NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31(29,30)22-18-17-21-23(20(22)2)25(28)26-24(21)27/h17-18H,3-16,19H2,1-2H3,(H,26,27,28)