O2-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-octadecoxybenzene-1,2-dicarboxylate

Systemtic Name: O2-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-octadecoxybenzene-1,2-dicarboxylate Openeye Name: O2-(2-chloro-2-methyl-butyl) O1-phenyl 4-octadecoxybenzene-1,2-dicarboxylate CAS Name: 4-octadecoxybenzene-1,2-dicarboxylic acid O2-(2-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(2-chloro-2-methylbutyl) 1-O-phenyl 4-octadecoxybenzene-1,2-dicarboxylate Traditional Name: 4-stearyloxybenzene-1,2-dicarboxylic acid O2-(2-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C37H55ClO5 MolecularWeight: 615.2826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)(CC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)(CC)Cl

InChI

InChI=1S/C37H55ClO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-41-32-26-27-33(36(40)43-31-24-21-20-22-25-31)34(29-32)35(39)42-30-37(3,38)5-2/h20-22,24-27,29H,4-19,23,28,30H2,1-3H3