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

Systemtic Name: (4-decylphenyl) 4-(3-chloranyl-4-nonoxy-phenyl)benzoate Openeye Name: (4-decylphenyl) 4-(3-chloro-4-nonoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-nonoxyphenyl)benzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 4-(3-chloro-4-nonoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-nonoxy-phenyl)benzoic acid (4-decylphenyl) ester Formula: C38H51ClO3 MolecularWeight: 591.26274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H51ClO3/c1-3-5-7-9-11-12-14-16-18-31-19-26-35(27-20-31)42-38(40)33-23-21-32(22-24-33)34-25-28-37(36(39)30-34)41-29-17-15-13-10-8-6-4-2/h19-28,30H,3-18,29H2,1-2H3