2-[3,4-bis(chloranyl)-2-octadecyl-phenyl]propan-2-amine

Systemtic Name: 2-[3,4-bis(chloranyl)-2-octadecyl-phenyl]propan-2-amine Openeye Name: 2-(3,4-dichloro-2-octadecyl-phenyl)propan-2-amine CAS Name: 2-(3,4-dichloro-2-octadecylphenyl)-2-propanamine IUPAC Name: 2-(3,4-dichloro-2-octadecylphenyl)propan-2-amine Traditional Name: [1-(3,4-dichloro-2-stearyl-phenyl)-1-methyl-ethyl]amine Formula: C27H47Cl2N MolecularWeight: 456.57478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(C)(C)N

InChI

InChI=1S/C27H47Cl2N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(27(2,3)30)21-22-25(28)26(23)29/h21-22H,4-20,30H2,1-3H3