dibenzofuran-2-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: dibenzofuran-2-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: dibenzofuran-2-yl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid dibenzofuran-2-yl ester Formula: C28H24O4S MolecularWeight: 456.55276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC5=C(C=C4)OC6=CC=CC=C65

InChI

InChI=1S/C28H24O4S/c29-28(30-18-14-15-26-22(16-18)20-10-4-6-12-24(20)31-26)27-23(17-33-19-8-2-1-3-9-19)21-11-5-7-13-25(21)32-27/h4-7,10-16,19H,1-3,8-9,17H2