phenyl [4-[2-(phenylmethyl)hexanoyl]phenyl] hydrogen phosphate

Systemtic Name: phenyl [4-[2-(phenylmethyl)hexanoyl]phenyl] hydrogen phosphate Openeye Name: [4-(2-benzylhexanoyl)phenyl] phenyl hydrogen phosphate CAS Name: [4-[1-oxo-2-(phenylmethyl)hexyl]phenyl] phenyl hydrogen phosphate IUPAC Name: [4-(2-benzylhexanoyl)phenyl] phenyl hydrogen phosphate Traditional Name: [4-(2-benzylhexanoyl)phenyl] phenyl hydrogen phosphate Formula: C25H27O5P MolecularWeight: 438.452641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OP(=O)(O)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OP(=O)(O)OC3=CC=CC=C3

InChI

InChI=1S/C25H27O5P/c1-2-3-12-22(19-20-10-6-4-7-11-20)25(26)21-15-17-24(18-16-21)30-31(27,28)29-23-13-8-5-9-14-23/h4-11,13-18,22H,2-3,12,19H2,1H3,(H,27,28)