4-(3-chloranyl-4-hexadecoxy-phenyl)benzoate

Systemtic Name: 4-(3-chloranyl-4-hexadecoxy-phenyl)benzoate Openeye Name: 4-(3-chloro-4-hexadecoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-hexadecoxyphenyl)benzoate IUPAC Name: 4-(3-chloro-4-hexadecoxyphenyl)benzoate Traditional Name: 4-(4-cetyloxy-3-chloro-phenyl)benzoate Formula: C29H40ClO3- MolecularWeight: 472.0791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])Cl

InChI

InChI=1S/C29H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-28-21-20-26(23-27(28)30)24-16-18-25(19-17-24)29(31)32/h16-21,23H,2-15,22H2,1H3,(H,31,32)/p-1