2,5-didodecyl-3-(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-didodecyl-3-(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-(benzenesulfonyl)-2,5-didodecyl-1,4-benzoquinone CAS Name: 3-(benzenesulfonyl)-2,5-didodecylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-(benzenesulfonyl)-2,5-didodecylcyclohexa-2,5-diene-1,4-dione Traditional Name: 3-besyl-2,5-dilauryl-p-benzoquinone Formula: C36H56O4S MolecularWeight: 584.89244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=O)C(=C(C1=O)S(=O)(=O)C2=CC=CC=C2)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=O)C(=C(C1=O)S(=O)(=O)C2=CC=CC=C2)CCCCCCCCCCCC

InChI

InChI=1S/C36H56O4S/c1-3-5-7-9-11-13-15-17-19-22-26-31-30-34(37)33(29-25-20-18-16-14-12-10-8-6-4-2)36(35(31)38)41(39,40)32-27-23-21-24-28-32/h21,23-24,27-28,30H,3-20,22,25-26,29H2,1-2H3