(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-tert-butylcyclohexane-1-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCC(CC3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCC(CC3)C(C)(C)C)Cl

InChI

InChI=1S/C22H27ClO4/c1-13-9-19-17(11-18(13)23)15(10-20(24)27-19)12-26-21(25)14-5-7-16(8-6-14)22(2,3)4/h9-11,14,16H,5-8,12H2,1-4H3