[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-bromanylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H15BrO3S2 MolecularWeight: 411.3332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrO3S2/c1-20-15-10-12(17-22-7-8-23-17)5-6-14(15)21-16(19)11-3-2-4-13(18)9-11/h2-6,9-10,17H,7-8H2,1H3