dioctyl 5-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methyl]benzene-1,3-dicarboxylate

Systemtic Name: dioctyl 5-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methyl]benzene-1,3-dicarboxylate Openeye Name: dioctyl 5-[(3,5-dichloro-4-hydroxy-phenyl)methyl]benzene-1,3-dicarboxylate CAS Name: 5-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzene-1,3-dicarboxylic acid dioctyl ester IUPAC Name: dioctyl 5-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzene-1,3-dicarboxylate Traditional Name: 5-(3,5-dichloro-4-hydroxy-benzyl)benzene-1,3-dicarboxylic acid dioctyl ester Formula: C31H42Cl2O5 MolecularWeight: 565.56818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC(=C1)CC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC(=C1)CC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OCCCCCCCC

InChI

InChI=1S/C31H42Cl2O5/c1-3-5-7-9-11-13-15-37-30(35)25-18-23(17-24-20-27(32)29(34)28(33)21-24)19-26(22-25)31(36)38-16-14-12-10-8-6-4-2/h18-22,34H,3-17H2,1-2H3