sodium 2-[(1,1,2,3,3-pentamethyl-2H-inden-5-yl)carbonyl]benzoate

Systemtic Name: sodium 2-[(1,1,2,3,3-pentamethyl-2H-inden-5-yl)carbonyl]benzoate Openeye Name: sodium 2-(1,1,2,3,3-pentamethylindane-5-carbonyl)benzoate CAS Name: sodium 2-[oxo-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)methyl]benzoate IUPAC Name: sodium 2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)benzoate Traditional Name: sodium 2-(1,1,2,3,3-pentamethylindane-5-carbonyl)benzoate Formula: C22H23NaO3 MolecularWeight: 358.40599

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C1(C)C)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])(C)C.[Na+]

Isomeric SMILES

CC1C(C2=C(C1(C)C)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)[O-])(C)C.[Na+]

InChI

InChI=1S/C22H24O3.Na/c1-13-21(2,3)17-11-10-14(12-18(17)22(13,4)5)19(23)15-8-6-7-9-16(15)20(24)25;/h6-13H,1-5H3,(H,24,25);/q;+1/p-1