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

Systemtic Name: methyl 4-[3-(3-chloranylpropoxy)phenyl]sulfanylbenzoate Openeye Name: methyl 4-[3-(3-chloropropoxy)phenyl]sulfanylbenzoate CAS Name: 4-[[3-(3-chloropropoxy)phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-chloropropoxy)phenyl]sulfanylbenzoate Traditional Name: 4-[[3-(3-chloropropoxy)phenyl]thio]benzoic acid methyl ester Formula: C17H17ClO3S MolecularWeight: 336.83308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO3S/c1-20-17(19)13-6-8-15(9-7-13)22-16-5-2-4-14(12-16)21-11-3-10-18/h2,4-9,12H,3,10-11H2,1H3