methyl 4-[3-(4-bromanylbutoxy)phenyl]sulfanylbenzoate

Systemtic Name: methyl 4-[3-(4-bromanylbutoxy)phenyl]sulfanylbenzoate Openeye Name: methyl 4-[3-(4-bromobutoxy)phenyl]sulfanylbenzoate CAS Name: 4-[[3-(4-bromobutoxy)phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-bromobutoxy)phenyl]sulfanylbenzoate Traditional Name: 4-[[3-(4-bromobutoxy)phenyl]thio]benzoic acid methyl ester Formula: C18H19BrO3S MolecularWeight: 395.31066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC2=CC=CC(=C2)OCCCCBr

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2=CC=CC(=C2)OCCCCBr

InChI

InChI=1S/C18H19BrO3S/c1-21-18(20)14-7-9-16(10-8-14)23-17-6-4-5-15(13-17)22-12-3-2-11-19/h4-10,13H,2-3,11-12H2,1H3