phosphono 2,2-bis(2-methylphenyl)butanoate

Systemtic Name: phosphono 2,2-bis(2-methylphenyl)butanoate Openeye Name: phosphono 2,2-bis(o-tolyl)butanoate CAS Name: 2,2-bis(2-methylphenyl)butanoic acid phosphono ester IUPAC Name: phosphono 2,2-bis(2-methylphenyl)butanoate Traditional Name: 2,2-bis(o-tolyl)butyric acid phosphono ester Formula: C18H21O5P MolecularWeight: 348.330101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C)(C2=CC=CC=C2C)C(=O)OP(=O)(O)O

Isomeric SMILES

CCC(C1=CC=CC=C1C)(C2=CC=CC=C2C)C(=O)OP(=O)(O)O

InChI

InChI=1S/C18H21O5P/c1-4-18(17(19)23-24(20,21)22,15-11-7-5-9-13(15)2)16-12-8-6-10-14(16)3/h5-12H,4H2,1-3H3,(H2,20,21,22)