(4-ethylphenyl) 4-[11-(2-chloranyl-2-methyl-butanoyl)oxyundecoxy]benzoate

Systemtic Name: (4-ethylphenyl) 4-[11-(2-chloranyl-2-methyl-butanoyl)oxyundecoxy]benzoate Openeye Name: (4-ethylphenyl) 4-[11-(2-chloro-2-methyl-butanoyl)oxyundecoxy]benzoate CAS Name: 4-[11-(2-chloro-2-methyl-1-oxobutoxy)undecoxy]benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-[11-(2-chloro-2-methylbutanoyl)oxyundecoxy]benzoate Traditional Name: 4-[11-(2-chloro-2-methyl-butanoyl)oxyundecoxy]benzoic acid (4-ethylphenyl) ester Formula: C31H43ClO5 MolecularWeight: 531.12312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCCCCOC(=O)C(C)(CC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCCCCOC(=O)C(C)(CC)Cl

InChI

InChI=1S/C31H43ClO5/c1-4-25-15-19-28(20-16-25)37-29(33)26-17-21-27(22-18-26)35-23-13-11-9-7-6-8-10-12-14-24-36-30(34)31(3,32)5-2/h15-22H,4-14,23-24H2,1-3H3