diethyl 2-chloranyl-5-[4-(3,7-dimethyloctoxy)phenyl]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-chloranyl-5-[4-(3,7-dimethyloctoxy)phenyl]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-chloro-5-[4-(3,7-dimethyloctoxy)phenyl]benzene-1,4-dicarboxylate CAS Name: 2-chloro-5-[4-(3,7-dimethyloctoxy)phenyl]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-chloro-5-[4-(3,7-dimethyloctoxy)phenyl]benzene-1,4-dicarboxylate Traditional Name: 2-chloro-5-[4-(3,7-dimethyloctoxy)phenyl]benzene-1,4-dicarboxylic acid diethyl ester Formula: C28H37ClO5 MolecularWeight: 489.04338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C2=CC=C(C=C2)OCCC(C)CCCC(C)C)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C2=CC=C(C=C2)OCCC(C)CCCC(C)C)C(=O)OCC)Cl

InChI

InChI=1S/C28H37ClO5/c1-6-32-27(30)24-18-26(29)25(28(31)33-7-2)17-23(24)21-11-13-22(14-12-21)34-16-15-20(5)10-8-9-19(3)4/h11-14,17-20H,6-10,15-16H2,1-5H3