ethyl 4-chloranyl-2-henicosan-4-yl-benzoate

Systemtic Name: ethyl 4-chloranyl-2-henicosan-4-yl-benzoate Openeye Name: ethyl 4-chloro-2-(1-propyloctadecyl)benzoate CAS Name: 4-chloro-2-heneicosan-4-ylbenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-henicosan-4-ylbenzoate Traditional Name: 4-chloro-2-(1-propyloctadecyl)benzoic acid ethyl ester Formula: C30H51ClO2 MolecularWeight: 479.17774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCC)C1=C(C=CC(=C1)Cl)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCC)C1=C(C=CC(=C1)Cl)C(=O)OCC

InChI

InChI=1S/C30H51ClO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(21-5-2)29-25-27(31)23-24-28(29)30(32)33-6-3/h23-26H,4-22H2,1-3H3