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

Systemtic Name: dioctyl 3-(4-methylphenyl)sulfonyl-2,5-bis(oxidanyl)benzene-1,4-dicarboxylate Openeye Name: dioctyl 2,5-dihydroxy-3-(p-tolylsulfonyl)benzene-1,4-dicarboxylate CAS Name: 2,5-dihydroxy-3-(4-methylphenyl)sulfonylbenzene-1,4-dicarboxylic acid dioctyl ester IUPAC Name: dioctyl 2,5-dihydroxy-3-(4-methylphenyl)sulfonylbenzene-1,4-dicarboxylate Traditional Name: 2,5-dihydroxy-3-tosyl-benzene-1,4-dicarboxylic acid dioctyl ester Formula: C31H44O8S MolecularWeight: 576.74126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C(=C1O)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCCCCCCCC)O

InChI

InChI=1S/C31H44O8S/c1-4-6-8-10-12-14-20-38-30(34)25-22-26(32)27(31(35)39-21-15-13-11-9-7-5-2)29(28(25)33)40(36,37)24-18-16-23(3)17-19-24/h16-19,22,32-33H,4-15,20-21H2,1-3H3