4-methylpentyl (4-phenethylphenyl) hydrogen phosphate

Systemtic Name: 4-methylpentyl (4-phenethylphenyl) hydrogen phosphate Openeye Name: isohexyl (4-phenethylphenyl) hydrogen phosphate CAS Name: 4-methylpentyl (4-phenethylphenyl) hydrogen phosphate IUPAC Name: 4-methylpentyl (4-phenethylphenyl) hydrogen phosphate Traditional Name: isohexyl (4-phenethylphenyl) hydrogen phosphate Formula: C20H27O4P MolecularWeight: 362.399741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOP(=O)(O)OC1=CC=C(C=C1)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCOP(=O)(O)OC1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C20H27O4P/c1-17(2)7-6-16-23-25(21,22)24-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18/h3-5,8-9,12-15,17H,6-7,10-11,16H2,1-2H3,(H,21,22)