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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-bromanylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-bromobenzoate Traditional Name: 4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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