1-(4-phenylphenoxy)undecyl 3-chloranyl-4-octan-2-yloxy-benzoate

Systemtic Name: 1-(4-phenylphenoxy)undecyl 3-chloranyl-4-octan-2-yloxy-benzoate Openeye Name: 1-(4-phenylphenoxy)undecyl 3-chloro-4-(1-methylheptoxy)benzoate CAS Name: 3-chloro-4-octan-2-yloxybenzoic acid 1-(4-phenylphenoxy)undecyl ester IUPAC Name: 1-(4-phenylphenoxy)undecyl 3-chloro-4-octan-2-yloxybenzoate Traditional Name: 3-chloro-4-(1-methylheptoxy)benzoic acid 1-(4-phenylphenoxy)undecyl ester Formula: C38H51ClO4 MolecularWeight: 607.26214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(OC1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCC(OC1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

InChI

InChI=1S/C38H51ClO4/c1-4-6-8-10-11-12-13-18-22-37(42-34-26-23-32(24-27-34)31-20-16-14-17-21-31)43-38(40)33-25-28-36(35(39)29-33)41-30(3)19-15-9-7-5-2/h14,16-17,20-21,23-30,37H,4-13,15,18-19,22H2,1-3H3