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

Systemtic Name: [4-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloranyl-4-octoxy-phenyl)benzoate Openeye Name: [4-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-octoxyphenyl)benzoic acid [4-[2-methylbutoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-methylbutoxycarbonyl)phenyl] 4-(3-chloro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-octoxy-phenyl)benzoic acid [4-(2-methylbutoxycarbonyl)phenyl] ester Formula: C33H39ClO5 MolecularWeight: 551.11276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)CC)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OCC(C)CC)Cl

InChI

InChI=1S/C33H39ClO5/c1-4-6-7-8-9-10-21-37-31-20-17-28(22-30(31)34)25-11-13-27(14-12-25)33(36)39-29-18-15-26(16-19-29)32(35)38-23-24(3)5-2/h11-20,22,24H,4-10,21,23H2,1-3H3