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

Systemtic Name: (4-pentoxyphenyl) 4-(3-chloranyl-4-heptyl-phenyl)benzoate Openeye Name: (4-pentoxyphenyl) 4-(3-chloro-4-heptyl-phenyl)benzoate CAS Name: 4-(3-chloro-4-heptylphenyl)benzoic acid (4-pentoxyphenyl) ester IUPAC Name: (4-pentoxyphenyl) 4-(3-chloro-4-heptylphenyl)benzoate Traditional Name: 4-(3-chloro-4-heptyl-phenyl)benzoic acid (4-amoxyphenyl) ester Formula: C31H37ClO3 MolecularWeight: 493.07668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

InChI

InChI=1S/C31H37ClO3/c1-3-5-7-8-9-11-25-14-17-27(23-30(25)32)24-12-15-26(16-13-24)31(33)35-29-20-18-28(19-21-29)34-22-10-6-4-2/h12-21,23H,3-11,22H2,1-2H3