ethyl 2-[2,4,7-tris(bromanyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: ethyl 2-[2,4,7-tris(bromanyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: ethyl 2-[2,4,7-tribromo-3-hydroxy-5-[4-(1-naphthyl)-1-naphthyl]-6-oxo-xanthen-9-yl]benzoate CAS Name: 2-[2,4,7-tribromo-3-hydroxy-5-[4-(1-naphthalenyl)-1-naphthalenyl]-6-oxo-9-xanthenyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2,4,7-tribromo-3-hydroxy-5-(4-naphthalen-1-ylnaphthalen-1-yl)-6-oxoxanthen-9-yl]benzoate Traditional Name: 2-[2,4,7-tribromo-3-hydroxy-6-keto-5-[4-(1-naphthyl)-1-naphthyl]xanthen-9-yl]benzoic acid ethyl ester Formula: C42H25Br3O5 MolecularWeight: 849.3569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)C5=CC=C(C6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)C5=CC=C(C6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)Br

InChI

InChI=1S/C42H25Br3O5/c1-2-49-42(48)30-16-8-7-15-28(30)35-31-20-33(43)38(46)36(40(31)50-41-32(35)21-34(44)39(47)37(41)45)29-19-18-27(25-13-5-6-14-26(25)29)24-17-9-11-22-10-3-4-12-23(22)24/h3-21,47H,2H2,1H3