dicyclohexyl 3-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzene-1,4-dicarboxylate

Systemtic Name: dicyclohexyl 3-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzene-1,4-dicarboxylate Openeye Name: dicyclohexyl 2,5-dihydroxy-3-(p-tolylsulfonyl)benzene-1,4-dicarboxylate CAS Name: 2,5-dihydroxy-3-(4-methylphenyl)sulfonylbenzene-1,4-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2,5-dihydroxy-3-(4-methylphenyl)sulfonylbenzene-1,4-dicarboxylate Traditional Name: 2,5-dihydroxy-3-tosyl-benzene-1,4-dicarboxylic acid dicyclohexyl ester Formula: C27H32O8S MolecularWeight: 516.60318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2C(=O)OC3CCCCC3)O)C(=O)OC4CCCCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2C(=O)OC3CCCCC3)O)C(=O)OC4CCCCC4)O

InChI

InChI=1S/C27H32O8S/c1-17-12-14-20(15-13-17)36(32,33)25-23(27(31)35-19-10-6-3-7-11-19)22(28)16-21(24(25)29)26(30)34-18-8-4-2-5-9-18/h12-16,18-19,28-29H,2-11H2,1H3