trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide

C75H75Cl2Na3O15 — CID 159655459

About trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide

trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide (PubChem CID 159655459) has the molecular formula C75H75Cl2Na3O15 and a molecular weight of 1356.29 g/mol. Its IUPAC name is trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide.

Molecular Properties

• Compound Name: trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide
• PubChem CID: 159655459
• Molecular Formula: C75H75Cl2Na3O15
• Molecular Weight: 1356.29 g/mol
• Exact Mass: 1354.42
• IUPAC Name: trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide
• SMILES: C=C(C)C.C=O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc([O-])cc1)c1ccc([O-])cc1.COc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(C)=O)cc3)cc2)cc1.O=C(Cl)c1ccc(C(=O)Cl)cc1.O=C(O)c1ccc(O)cc1.[Na+].[Na+].[Na+].[OH-]
• InChI: InChI=1S/C25H24O4.2C15H16O2.C8H4Cl2O2.C7H6O3.C4H8.CH2O.3Na.H2O/c1-17(26)18-5-7-19(8-6-18)24(27)29-23-15-11-21(12-16-23)25(2,3)20-9-13-22(28-4)14-10-20;2*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-7(11)5-1-2-6(4-3-5)8(10)12;8-6-3-1-5(2-4-6)7(9)10;1-4(2)3;1-2;;;;/h5-16H,1-4H3;2*3-10,16-17H,1-2H3;1-4H;1-4,8H,(H,9,10);1H2,2-3H3;1H2;;;;1H2/q;;;;;;;3*+1;/p-3
• InChIKey: MSCOWCBBPTYTLJ-UHFFFAOYSA-K
• XLogP: 6.79
• TPSA: 277.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.29
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide?

The IUPAC name of trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide (CID 159655459) is trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide.

What is the SMILES notation for trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide?

The canonical SMILES for trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide is C=C(C)C.C=O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccc([O-])cc1)c1ccc([O-])cc1.COc1ccc(C(C)(C)c2ccc(OC(=O)c3ccc(C(C)=O)cc3)cc2)cc1.O=C(Cl)c1ccc(C(=O)Cl)cc1.O=C(O)c1ccc(O)cc1.[Na+].[Na+].[Na+].[OH-].

What is the InChIKey of trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide?

The InChIKey is MSCOWCBBPTYTLJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H24O4.2C15H16O2.C8H4Cl2O2.C7H6O3.C4H8.CH2O.3Na.H2O/c1-17(26)18-5-7-19(8-6-18)24(27)29-23-15-11-21(12-16-23)25(2,3)20-9-13-22(28-4)14-10-20;2*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;9-7(11)5-1-2-6(4-3-5)8(10)12;8-6-3-1-5(2-4-6)7(9)10;1-4(2)3;1-2;;;;/h5-16H,1-4H3;2*3-10,16-17H,1-2H3;1-4H;1-4,8H,(H,9,10);1H2,2-3H3;1H2;;;;1H2/q;;;;;;;3*+1;/p-3.

What are the key properties of trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide?

trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide has a molecular weight of 1356.29 g/mol, XLogP of 6.79, 13 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;benzene-1,4-dicarbonyl chloride;formaldehyde;4-hydroxybenzoic acid;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] 4-acetylbenzoate;2-methylprop-1-ene;4-[2-(4-oxidophenyl)propan-2-yl]phenolate;hydroxide is sourced from PubChem (CID 159655459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).