sodium 2,5,7-tris(bromanyl)-9-(2-ethoxycarbonylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-oxidanylidene-xanthen-3-olate

Systemtic Name: sodium 2,5,7-tris(bromanyl)-9-(2-ethoxycarbonylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-oxidanylidene-xanthen-3-olate Openeye Name: sodium 2,5,7-tribromo-9-(2-ethoxycarbonylphenyl)-4-[4-(1-naphthyl)-1-naphthyl]-6-oxo-xanthen-3-olate CAS Name: sodium 2,5,7-tribromo-9-(2-ethoxycarbonylphenyl)-4-[4-(1-naphthalenyl)-1-naphthalenyl]-6-oxo-3-xanthenolate IUPAC Name: sodium 2,5,7-tribromo-9-(2-ethoxycarbonylphenyl)-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-oxoxanthen-3-olate Traditional Name: sodium 2,5,7-tribromo-9-(2-carbethoxyphenyl)-6-keto-4-[4-(1-naphthyl)-1-naphthyl]xanthen-3-olate Formula: C42H24Br3NaO5 MolecularWeight: 871.33873

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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-])C5=CC=C(C6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)Br)Br.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])C5=CC=C(C6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)Br)Br.[Na+]

InChI

InChI=1S/C42H25Br3O5.Na/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;/h3-21,46H,2H2,1H3;/q;+1/p-1