2-[chloranyl-(3-heptadecylsulfanyl-2-methyl-phenyl)amino]ethanal

Systemtic Name: 2-[chloranyl-(3-heptadecylsulfanyl-2-methyl-phenyl)amino]ethanal Openeye Name: 2-(N-chloro-3-heptadecylsulfanyl-2-methyl-anilino)acetaldehyde CAS Name: 2-[N-chloro-3-(heptadecylthio)-2-methylanilino]acetaldehyde IUPAC Name: 2-(N-chloro-3-heptadecylsulfanyl-2-methylanilino)acetaldehyde Traditional Name: 2-[N-chloro-3-(heptadecylthio)-2-methyl-anilino]acetaldehyde Formula: C26H44ClNOS MolecularWeight: 454.15166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=CC=CC(=C1C)N(CC=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=CC=CC(=C1C)N(CC=O)Cl

InChI

InChI=1S/C26H44ClNOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-26-20-18-19-25(24(26)2)28(27)21-22-29/h18-20,22H,3-17,21,23H2,1-2H3