(4-decylphenyl) 4-(3-chloranyl-4-heptoxy-phenyl)benzoate

Systemtic Name: (4-decylphenyl) 4-(3-chloranyl-4-heptoxy-phenyl)benzoate Openeye Name: (4-decylphenyl) 4-(3-chloro-4-heptoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-heptoxyphenyl)benzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 4-(3-chloro-4-heptoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-heptoxy-phenyl)benzoic acid (4-decylphenyl) ester Formula: C36H47ClO3 MolecularWeight: 563.20958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCCC)Cl

InChI

InChI=1S/C36H47ClO3/c1-3-5-7-9-10-11-12-14-16-29-17-24-33(25-18-29)40-36(38)31-21-19-30(20-22-31)32-23-26-35(34(37)28-32)39-27-15-13-8-6-4-2/h17-26,28H,3-16,27H2,1-2H3