methyl 10-(4-bromophenyl)-8-methylsulfanyl-fluoranthene-7-carboxylate

Systemtic Name: methyl 10-(4-bromophenyl)-8-methylsulfanyl-fluoranthene-7-carboxylate Openeye Name: methyl 10-(4-bromophenyl)-8-methylsulfanyl-fluoranthene-7-carboxylate CAS Name: 10-(4-bromophenyl)-8-(methylthio)-7-fluoranthenecarboxylic acid methyl ester IUPAC Name: methyl 10-(4-bromophenyl)-8-methylsulfanylfluoranthene-7-carboxylate Traditional Name: 10-(4-bromophenyl)-8-(methylthio)fluoranthene-7-carboxylic acid methyl ester Formula: C25H17BrO2S MolecularWeight: 461.37028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1C3=CC=CC4=C3C2=CC=C4)C5=CC=C(C=C5)Br)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1C3=CC=CC4=C3C2=CC=C4)C5=CC=C(C=C5)Br)SC

InChI

InChI=1S/C25H17BrO2S/c1-28-25(27)24-20(29-2)13-19(14-9-11-16(26)12-10-14)22-17-7-3-5-15-6-4-8-18(21(15)17)23(22)24/h3-13H,1-2H3