2-ethylbenzoate; indium(3+)

Systemtic Name: 2-ethylbenzoate; indium(3+) Openeye Name: 2-ethylbenzoate; indium(3+) CAS Name: 2-ethylbenzoate; indium(3+) IUPAC Name: 2-ethylbenzoate; indium(3+) Traditional Name: 2-ethylbenzoate; indium(3+) Formula: C27H27InO6 MolecularWeight: 562.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)[O-].CCC1=CC=CC=C1C(=O)[O-].CCC1=CC=CC=C1C(=O)[O-].[In+3]

Isomeric SMILES

CCC1=CC=CC=C1C(=O)[O-].CCC1=CC=CC=C1C(=O)[O-].CCC1=CC=CC=C1C(=O)[O-].[In+3]

InChI

InChI=1S/3C9H10O2.In/c3*1-2-7-5-3-4-6-8(7)9(10)11;/h3*3-6H,2H2,1H3,(H,10,11);/q;;;+3/p-3