sodium [4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] phenyl phosphate

Systemtic Name: sodium [4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] phenyl phosphate Openeye Name: sodium [4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenyl] phenyl phosphate CAS Name: sodium [4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] phenyl phosphate Traditional Name: sodium [4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenyl] phenyl phosphate Formula: C24H26NaO5P MolecularWeight: 448.423771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27O5P.Na/c1-3-23(18-10-14-20(25)15-11-18)24(4-2)19-12-16-22(17-13-19)29-30(26,27)28-21-8-6-5-7-9-21;/h5-17,23-25H,3-4H2,1-2H3,(H,26,27);/q;+1/p-1