5-bromanylnaphthalene-2-carboxylate; indium(3+)

Systemtic Name: 5-bromanylnaphthalene-2-carboxylate; indium(3+) Openeye Name: 5-bromonaphthalene-2-carboxylate; indium(3+) CAS Name: 5-bromo-2-naphthalenecarboxylate; indium(3+) IUPAC Name: 5-bromonaphthalene-2-carboxylate; indium(3+) Traditional Name: 5-bromo-2-naphthoate; indium(3+) Formula: C33H18Br3InO6 MolecularWeight: 865.02242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C(=O)[O-])C(=C1)Br.C1=CC2=C(C=CC(=C2)C(=O)[O-])C(=C1)Br.C1=CC2=C(C=CC(=C2)C(=O)[O-])C(=C1)Br.[In+3]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C(=O)[O-])C(=C1)Br.C1=CC2=C(C=CC(=C2)C(=O)[O-])C(=C1)Br.C1=CC2=C(C=CC(=C2)C(=O)[O-])C(=C1)Br.[In+3]

InChI

InChI=1S/3C11H7BrO2.In/c3*12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10;/h3*1-6H,(H,13,14);/q;;;+3/p-3