5-chloranyl-4-methyl-2-[(2-octoxy-5-octyl-phenyl)methyl]thiophene-3-carbonitrile

Systemtic Name: 5-chloranyl-4-methyl-2-[(2-octoxy-5-octyl-phenyl)methyl]thiophene-3-carbonitrile Openeye Name: 5-chloro-4-methyl-2-[(2-octoxy-5-octyl-phenyl)methyl]thiophene-3-carbonitrile CAS Name: 5-chloro-4-methyl-2-[(2-octoxy-5-octylphenyl)methyl]-3-thiophenecarbonitrile IUPAC Name: 5-chloro-4-methyl-2-[(2-octoxy-5-octylphenyl)methyl]thiophene-3-carbonitrile Traditional Name: 5-chloro-4-methyl-2-(2-octoxy-5-octyl-benzyl)thiophene-3-carbonitrile Formula: C29H42ClNOS MolecularWeight: 488.16788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OCCCCCCCC)CC2=C(C(=C(S2)Cl)C)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OCCCCCCCC)CC2=C(C(=C(S2)Cl)C)C#N

InChI

InChI=1S/C29H42ClNOS/c1-4-6-8-10-12-14-16-24-17-18-27(32-19-15-13-11-9-7-5-2)25(20-24)21-28-26(22-31)23(3)29(30)33-28/h17-18,20H,4-16,19,21H2,1-3H3