trisodium; 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol; phosphoric acid; phosphate

Systemtic Name: trisodium; 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol; phosphoric acid; phosphate Openeye Name: trisodium; 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenol; phosphoric acid; phosphate CAS Name: trisodium; 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol; phosphoric acid; phosphate IUPAC Name: trisodium; 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol; phosphoric acid; phosphate Traditional Name: trisodium; 4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenol; phosphoric acid; phosphate Formula: C36H53Na3O20P4 MolecularWeight: 998.658374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H22O2.3Na.4H3O4P/c2*1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;;;;4*1-5(2,3)4/h2*5-12,17-20H,3-4H2,1-2H3;;;;4*(H3,1,2,3,4)/q;;3*+1;;;;/p-3