methyl 2-bromanyl-4-hexylsulfanyl-6-phenyl-benzoate

Systemtic Name: methyl 2-bromanyl-4-hexylsulfanyl-6-phenyl-benzoate Openeye Name: methyl 2-bromo-4-hexylsulfanyl-6-phenyl-benzoate CAS Name: 2-bromo-4-(hexylthio)-6-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-bromo-4-hexylsulfanyl-6-phenylbenzoate Traditional Name: 2-bromo-4-(hexylthio)-6-phenyl-benzoic acid methyl ester Formula: C20H23BrO2S MolecularWeight: 407.36442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)OC)Br

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C2=CC=CC=C2)C(=O)OC)Br

InChI

InChI=1S/C20H23BrO2S/c1-3-4-5-9-12-24-16-13-17(15-10-7-6-8-11-15)19(18(21)14-16)20(22)23-2/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3