(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H21BrO6 MolecularWeight: 497.33464

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H21BrO6/c1-3-10-30-24-19(26)11-16(12-21(24)29-2)25(28)31-14-17-13-22(27)32-20-9-8-15-6-4-5-7-18(15)23(17)20/h4-9,11-13H,3,10,14H2,1-2H3