O2-(2-methylbutyl) O1-phenyl 3-chloranyl-4-dodecoxy-benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-methylbutyl) O1-phenyl 3-chloranyl-4-dodecoxy-benzene-1,2-dicarboxylate Openeye Name: O2-(2-methylbutyl) O1-phenyl 3-chloro-4-dodecoxy-benzene-1,2-dicarboxylate CAS Name: 3-chloro-4-dodecoxybenzene-1,2-dicarboxylic acid O2-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(2-methylbutyl) 1-O-phenyl 3-chloro-4-dodecoxybenzene-1,2-dicarboxylate Traditional Name: 3-chloro-4-lauryloxy-benzene-1,2-dicarboxylic acid O2-(2-methylbutyl) ester O1-phenyl ester Formula: C31H43ClO5 MolecularWeight: 531.12312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)CC)Cl

InChI

InChI=1S/C31H43ClO5/c1-4-6-7-8-9-10-11-12-13-17-22-35-27-21-20-26(30(33)37-25-18-15-14-16-19-25)28(29(27)32)31(34)36-23-24(3)5-2/h14-16,18-21,24H,4-13,17,22-23H2,1-3H3