[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H14BrClO3S2 MolecularWeight: 445.77826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C17H14BrClO3S2/c1-21-15-8-10(17-23-6-7-24-17)2-5-14(15)22-16(20)12-9-11(18)3-4-13(12)19/h2-5,8-9,17H,6-7H2,1H3