2-[[3-(1-butoxyheptadecyl)-2,6-dimethyl-phenyl]-chloranyl-amino]ethanal

Systemtic Name: 2-[[3-(1-butoxyheptadecyl)-2,6-dimethyl-phenyl]-chloranyl-amino]ethanal Openeye Name: 2-[3-(1-butoxyheptadecyl)-N-chloro-2,6-dimethyl-anilino]acetaldehyde CAS Name: 2-[3-(1-butoxyheptadecyl)-N-chloro-2,6-dimethylanilino]acetaldehyde IUPAC Name: 2-[3-(1-butoxyheptadecyl)-N-chloro-2,6-dimethylanilino]acetaldehyde Traditional Name: 2-[3-(1-butoxyheptadecyl)-N-chloro-2,6-dimethyl-anilino]acetaldehyde Formula: C31H54ClNO2 MolecularWeight: 508.21896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=C(C(=C(C=C1)C)N(CC=O)Cl)C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=C(C(=C(C=C1)C)N(CC=O)Cl)C)OCCCC

InChI

InChI=1S/C31H54ClNO2/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-30(35-26-8-6-2)29-23-22-27(3)31(28(29)4)33(32)24-25-34/h22-23,25,30H,5-21,24,26H2,1-4H3