methyl 2-phenethyl-6-phosphonooxy-benzoate; potassium

Systemtic Name: methyl 2-phenethyl-6-phosphonooxy-benzoate; potassium Openeye Name: methyl 2-phenethyl-6-phosphonooxy-benzoate; potassium CAS Name: 2-phenethyl-6-phosphonooxybenzoic acid methyl ester; potassium IUPAC Name: methyl 2-phenethyl-6-phosphonooxybenzoate; potassium Traditional Name: 2-phenethyl-6-phosphonooxy-benzoic acid methyl ester; potassium Formula: C16H17K2O6P MolecularWeight: 414.472941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OP(=O)(O)O)CCC2=CC=CC=C2.[K].[K]

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OP(=O)(O)O)CCC2=CC=CC=C2.[K].[K]

InChI

InChI=1S/C16H17O6P.2K/c1-21-16(17)15-13(11-10-12-6-3-2-4-7-12)8-5-9-14(15)22-23(18,19)20;;/h2-9H,10-11H2,1H3,(H2,18,19,20);;