(4-pentoxyphenyl) 4-(3-chloranyl-4-nonyl-phenyl)benzoate

Systemtic Name: (4-pentoxyphenyl) 4-(3-chloranyl-4-nonyl-phenyl)benzoate Openeye Name: (4-pentoxyphenyl) 4-(3-chloro-4-nonyl-phenyl)benzoate CAS Name: 4-(3-chloro-4-nonylphenyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 4-(3-chloro-4-nonylphenyl)benzoate Traditional Name: 4-(3-chloro-4-nonyl-phenyl)benzoic acid (4-amoxyphenyl) ester Formula: C33H41ClO3 MolecularWeight: 521.12984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

InChI

InChI=1S/C33H41ClO3/c1-3-5-7-8-9-10-11-13-27-16-19-29(25-32(27)34)26-14-17-28(18-15-26)33(35)37-31-22-20-30(21-23-31)36-24-12-6-4-2/h14-23,25H,3-13,24H2,1-2H3