[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] cyclohexanecarboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] cyclohexanecarboxylate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C26H27ClO4 MolecularWeight: 438.94318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4CCCCC4

InChI

InChI=1S/C26H27ClO4/c1-26(2,3)18-11-9-16(10-12-18)23-24(31-25(29)17-7-5-4-6-8-17)22(28)20-15-19(27)13-14-21(20)30-23/h9-15,17H,4-8H2,1-3H3