dodecyl 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: dodecyl 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: dodecyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoate CAS Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid dodecyl ester IUPAC Name: dodecyl 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate Traditional Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-xanthen-9-yl)benzoic acid lauryl ester Formula: C32H32Br4O5 MolecularWeight: 816.20948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br

InChI

InChI=1S/C32H32Br4O5/c1-2-3-4-5-6-7-8-9-10-13-16-40-32(39)20-15-12-11-14-19(20)25-21-17-23(33)28(37)26(35)30(21)41-31-22(25)18-24(34)29(38)27(31)36/h11-12,14-15,17-18,37H,2-10,13,16H2,1H3