2,5-bis(cyclohexylcarbonyl)-3-(phenylmethyl)sulfonyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(cyclohexylcarbonyl)-3-(phenylmethyl)sulfonyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-benzylsulfonyl-2,5-bis(cyclohexanecarbonyl)-1,4-benzoquinone CAS Name: 2,5-bis[cyclohexyl(oxo)methyl]-3-(phenylmethyl)sulfonylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-benzylsulfonyl-2,5-bis(cyclohexanecarbonyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 3-benzylsulfonyl-2,5-bis(cyclohexanecarbonyl)-p-benzoquinone Formula: C27H30O6S MolecularWeight: 482.5885

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C2=CC(=O)C(=C(C2=O)S(=O)(=O)CC3=CC=CC=C3)C(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(=O)C2=CC(=O)C(=C(C2=O)S(=O)(=O)CC3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H30O6S/c28-22-16-21(24(29)19-12-6-2-7-13-19)26(31)27(23(22)25(30)20-14-8-3-9-15-20)34(32,33)17-18-10-4-1-5-11-18/h1,4-5,10-11,16,19-20H,2-3,6-9,12-15,17H2