sodium [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl phosphate Openeye Name: sodium [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl phosphate CAS Name: sodium [4-[2-(4-hydroxyphenyl)-1-oxohexyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl phosphate Traditional Name: sodium [4-[2-(4-hydroxyphenyl)hexanoyl]phenyl] phenyl phosphate Formula: C24H24NaO6P MolecularWeight: 462.407291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)O)C(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)O)C(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H25O6P.Na/c1-2-3-9-23(18-10-14-20(25)15-11-18)24(26)19-12-16-22(17-13-19)30-31(27,28)29-21-7-5-4-6-8-21;/h4-8,10-17,23,25H,2-3,9H2,1H3,(H,27,28);/q;+1/p-1