[4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloranyl-4-dodecoxy-benzoate

Systemtic Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloranyl-4-dodecoxy-benzoate Openeye Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloro-4-dodecoxy-benzoate CAS Name: 3-chloro-4-dodecoxybenzoic acid [4-[2-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloro-4-dodecoxybenzoate Traditional Name: 3-chloro-4-lauryloxy-benzoic acid [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C37H47ClO5 MolecularWeight: 607.21908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)Cl

InChI

InChI=1S/C37H47ClO5/c1-4-6-7-8-9-10-11-12-13-16-25-41-35-24-21-30(26-34(35)38)36(39)43-31-22-19-29(20-23-31)32-17-14-15-18-33(32)37(40)42-27-28(3)5-2/h14-15,17-24,26,28H,4-13,16,25,27H2,1-3H3