O3-(2-methylbutyl) O1-phenyl 2-chloranyl-4-decoxy-benzene-1,3-dicarboxylate

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 2-chloranyl-4-decoxy-benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) O1-phenyl 2-chloro-4-decoxy-benzene-1,3-dicarboxylate CAS Name: 2-chloro-4-decoxybenzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-methylbutyl) 1-O-phenyl 2-chloro-4-decoxybenzene-1,3-dicarboxylate Traditional Name: 2-chloro-4-decoxy-benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester Formula: C29H39ClO5 MolecularWeight: 503.06996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)Cl)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)Cl)C(=O)OCC(C)CC

InChI

InChI=1S/C29H39ClO5/c1-4-6-7-8-9-10-11-15-20-33-25-19-18-24(28(31)35-23-16-13-12-14-17-23)27(30)26(25)29(32)34-21-22(3)5-2/h12-14,16-19,22H,4-11,15,20-21H2,1-3H3