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

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 2-chloranyl-4-tetradecoxy-benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) O1-phenyl 2-chloro-4-tetradecoxy-benzene-1,3-dicarboxylate CAS Name: 2-chloro-4-tetradecoxybenzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-methylbutyl) 1-O-phenyl 2-chloro-4-tetradecoxybenzene-1,3-dicarboxylate Traditional Name: 2-chloro-4-myristyloxy-benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester Formula: C33H47ClO5 MolecularWeight: 559.17628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)Cl)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)Cl)C(=O)OCC(C)CC

InChI

InChI=1S/C33H47ClO5/c1-4-6-7-8-9-10-11-12-13-14-15-19-24-37-29-23-22-28(32(35)39-27-20-17-16-18-21-27)31(34)30(29)33(36)38-25-26(3)5-2/h16-18,20-23,26H,4-15,19,24-25H2,1-3H3