sodium 3-bromanyl-9,10-bis(oxidanylidene)-4-phenylmethoxy-anthracene-1-carboxylate

Systemtic Name: sodium 3-bromanyl-9,10-bis(oxidanylidene)-4-phenylmethoxy-anthracene-1-carboxylate Openeye Name: sodium 4-benzyloxy-3-bromo-9,10-dioxo-anthracene-1-carboxylate CAS Name: sodium 3-bromo-9,10-dioxo-4-phenylmethoxy-1-anthracenecarboxylate IUPAC Name: sodium 3-bromo-9,10-dioxo-4-phenylmethoxyanthracene-1-carboxylate Traditional Name: sodium 4-benzoxy-3-bromo-9,10-diketo-anthracene-1-carboxylate Formula: C22H12BrNaO5 MolecularWeight: 459.22145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)[O-])Br.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)[O-])Br.[Na+]

InChI

InChI=1S/C22H13BrO5.Na/c23-16-10-15(22(26)27)17-18(21(16)28-11-12-6-2-1-3-7-12)20(25)14-9-5-4-8-13(14)19(17)24;/h1-10H,11H2,(H,26,27);/q;+1/p-1