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

Systemtic Name: (4-pentoxyphenyl) 4-(3-chloranyl-4-hexyl-phenyl)benzoate Openeye Name: (4-pentoxyphenyl) 4-(3-chloro-4-hexyl-phenyl)benzoate CAS Name: 4-(3-chloro-4-hexylphenyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 4-(3-chloro-4-hexylphenyl)benzoate Traditional Name: 4-(3-chloro-4-hexyl-phenyl)benzoic acid (4-amoxyphenyl) ester Formula: C30H35ClO3 MolecularWeight: 479.0501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

InChI

InChI=1S/C30H35ClO3/c1-3-5-7-8-10-24-13-16-26(22-29(24)31)23-11-14-25(15-12-23)30(32)34-28-19-17-27(18-20-28)33-21-9-6-4-2/h11-20,22H,3-10,21H2,1-2H3