(3-bromophenyl) 6-(hexanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (3-bromophenyl) 6-(hexanoyloxymethyl)-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (3-bromophenyl) 6-(hexanoyloxymethyl)-2-oxo-chromene-3-carboxylate CAS Name: 2-oxo-6-(1-oxohexoxymethyl)-1-benzopyran-3-carboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 6-(hexanoyloxymethyl)-2-oxochromene-3-carboxylate Traditional Name: 6-(caproyloxymethyl)-2-keto-chromene-3-carboxylic acid (3-bromophenyl) ester Formula: C23H21BrO6 MolecularWeight: 473.31324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H21BrO6/c1-2-3-4-8-21(25)28-14-15-9-10-20-16(11-15)12-19(23(27)30-20)22(26)29-18-7-5-6-17(24)13-18/h5-7,9-13H,2-4,8,14H2,1H3