5-bromanylnaphthalene-1-carboxylate; indium(3+)

Systemtic Name: 5-bromanylnaphthalene-1-carboxylate; indium(3+) Openeye Name: 5-bromonaphthalene-1-carboxylate; indium(3+) CAS Name: 5-bromo-1-naphthalenecarboxylate; indium(3+) IUPAC Name: 5-bromonaphthalene-1-carboxylate; indium(3+) Traditional Name: 5-bromo-1-naphthoate; indium(3+) Formula: C33H18Br3InO6 MolecularWeight: 865.02242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)[O-].C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)[O-].C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)[O-].[In+3]

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)[O-].C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)[O-].C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)[O-].[In+3]

InChI

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