8-chloranylnaphthalene-1-carboxylate; indium(3+)

Systemtic Name: 8-chloranylnaphthalene-1-carboxylate; indium(3+) Openeye Name: 8-chloronaphthalene-1-carboxylate; indium(3+) CAS Name: 8-chloro-1-naphthalenecarboxylate; indium(3+) IUPAC Name: 8-chloronaphthalene-1-carboxylate; indium(3+) Traditional Name: 8-chloro-1-naphthoate; indium(3+) Formula: C33H18Cl3InO6 MolecularWeight: 731.66942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C11H7ClO2.In/c3*12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14;/h3*1-6H,(H,13,14);/q;;;+3/p-3