methyl 2-ethyl-4-(4-methylcyclohexyl)-3-methylsulfonyl-benzoate

Systemtic Name: methyl 2-ethyl-4-(4-methylcyclohexyl)-3-methylsulfonyl-benzoate Openeye Name: methyl 2-ethyl-4-(4-methylcyclohexyl)-3-methylsulfonyl-benzoate CAS Name: 2-ethyl-4-(4-methylcyclohexyl)-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(4-methylcyclohexyl)-3-methylsulfonylbenzoate Traditional Name: 2-ethyl-3-mesyl-4-(4-methylcyclohexyl)benzoic acid methyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)C2CCC(CC2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)C2CCC(CC2)C)C(=O)OC

InChI

InChI=1S/C18H26O4S/c1-5-14-16(18(19)22-3)11-10-15(17(14)23(4,20)21)13-8-6-12(2)7-9-13/h10-13H,5-9H2,1-4H3