dodecyl 4-chloranyl-3-[(3-cyano-4,5-dimethyl-thiophen-2-yl)methyl]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[(3-cyano-4,5-dimethyl-thiophen-2-yl)methyl]benzoate Openeye Name: dodecyl 4-chloro-3-[(3-cyano-4,5-dimethyl-2-thienyl)methyl]benzoate CAS Name: 4-chloro-3-[(3-cyano-4,5-dimethyl-2-thiophenyl)methyl]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[(3-cyano-4,5-dimethylthiophen-2-yl)methyl]benzoate Traditional Name: 4-chloro-3-[(3-cyano-4,5-dimethyl-2-thienyl)methyl]benzoic acid lauryl ester Formula: C27H36ClNO2S MolecularWeight: 474.09824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)CC2=C(C(=C(S2)C)C)C#N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)CC2=C(C(=C(S2)C)C)C#N

InChI

InChI=1S/C27H36ClNO2S/c1-4-5-6-7-8-9-10-11-12-13-16-31-27(30)22-14-15-25(28)23(17-22)18-26-24(19-29)20(2)21(3)32-26/h14-15,17H,4-13,16,18H2,1-3H3