3-bromanylpropyl 2-[3-(3-bromanylpropoxy)-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: 3-bromanylpropyl 2-[3-(3-bromanylpropoxy)-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: 3-bromopropyl 2-[3-(3-bromopropoxy)-6-oxo-xanthen-9-yl]benzoate CAS Name: 2-[3-(3-bromopropoxy)-6-oxo-9-xanthenyl]benzoic acid 3-bromopropyl ester IUPAC Name: 3-bromopropyl 2-[3-(3-bromopropoxy)-6-oxoxanthen-9-yl]benzoate Traditional Name: 2-[3-(3-bromopropoxy)-6-keto-xanthen-9-yl]benzoic acid 3-bromopropyl ester Formula: C26H22Br2O5 MolecularWeight: 574.25788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCCCBr)C(=O)OCCCBr

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCCCBr)C(=O)OCCCBr

InChI

InChI=1S/C26H22Br2O5/c27-11-3-13-31-18-8-10-22-24(16-18)33-23-15-17(29)7-9-21(23)25(22)19-5-1-2-6-20(19)26(30)32-14-4-12-28/h1-2,5-10,15-16H,3-4,11-14H2