[4-(4-bromophenyl)-4-oxidanylidene-butyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C19H17BrO5 MolecularWeight: 405.23928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrO5/c20-14-9-7-13(8-10-14)15(21)4-3-11-23-19(22)18-12-24-16-5-1-2-6-17(16)25-18/h1-2,5-10,18H,3-4,11-12H2/t18-/m0/s1