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

Systemtic Name: (4-decylphenyl) 4-(3-chloranyl-4-hexoxy-phenyl)benzoate Openeye Name: (4-decylphenyl) 4-(3-chloro-4-hexoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-hexoxyphenyl)benzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 4-(3-chloro-4-hexoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-hexoxy-phenyl)benzoic acid (4-decylphenyl) ester Formula: C35H45ClO3 MolecularWeight: 549.183

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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)OCCCCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C35H45ClO3/c1-3-5-7-9-10-11-12-13-15-28-16-23-32(24-17-28)39-35(37)30-20-18-29(19-21-30)31-22-25-34(33(36)27-31)38-26-14-8-6-4-2/h16-25,27H,3-15,26H2,1-2H3