1-bromanylnaphthalene; [3-(2-methylpropanoyloxy)-2-naphthalen-1-yl-2-oxidanyl-propyl] 2-methylpropanoate

Systemtic Name: 1-bromanylnaphthalene; [3-(2-methylpropanoyloxy)-2-naphthalen-1-yl-2-oxidanyl-propyl] 2-methylpropanoate Openeye Name: 1-bromonaphthalene; [2-hydroxy-3-(2-methylpropanoyloxy)-2-(1-naphthyl)propyl] 2-methylpropanoate CAS Name: 1-bromonaphthalene; 2-methylpropanoic acid [2-hydroxy-3-(2-methyl-1-oxopropoxy)-2-(1-naphthalenyl)propyl] ester IUPAC Name: 1-bromonaphthalene; [2-hydroxy-3-(2-methylpropanoyloxy)-2-naphthalen-1-ylpropyl] 2-methylpropanoate Traditional Name: 1-bromonaphthalene; 2-methylpropionic acid [2-hydroxy-3-isobutyryloxy-2-(1-naphthyl)propyl] ester Formula: C31H33BrO5 MolecularWeight: 565.49472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(COC(=O)C(C)C)(C1=CC=CC2=CC=CC=C21)O.C1=CC=C2C(=C1)C=CC=C2Br

Isomeric SMILES

CC(C)C(=O)OCC(COC(=O)C(C)C)(C1=CC=CC2=CC=CC=C21)O.C1=CC=C2C(=C1)C=CC=C2Br

InChI

InChI=1S/C21H26O5.C10H7Br/c1-14(2)19(22)25-12-21(24,13-26-20(23)15(3)4)18-11-7-9-16-8-5-6-10-17(16)18;11-10-7-3-5-8-4-1-2-6-9(8)10/h5-11,14-15,24H,12-13H2,1-4H3;1-7H