4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate

C172H120F17O73S18-17 — CID 157151347

About 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate

4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate (PubChem CID 157151347) has the molecular formula C172H120F17O73S18-17 and a molecular weight of 4254.95 g/mol. Its IUPAC name is 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate.

Molecular Properties

• Compound Name: 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate
• PubChem CID: 157151347
• Molecular Formula: C172H120F17O73S18-17
• Molecular Weight: 4254.95 g/mol
• Exact Mass: 4251.05
• IUPAC Name: 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate
• SMILES: CC(=O)Oc1ccc(S(=O)(=O)[O-])c2ccccc12.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(=O)Oc1ccc2cc(S(=O)(=O)[O-])ccc2c1.COc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.O=C(Oc1ccc(S(=O)(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2.O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(O)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(Oc2ccccc2)c(F)c1F.O=S(=O)([O-])c1ccc(O)c2ccccc12.O=S(=O)([O-])c1ccc(Oc2ccccc2)cc1.O=S(=O)([O-])c1ccc2cc(O)c(O)cc2c1.O=S(=O)([O-])c1ccc2cc(O)ccc2c1.O=S(=O)([O-])c1ccc2ccccc2c1.O=S(=O)([O-])c1cccc2ccccc12
• InChI: InChI=1S/C17H20O5S.C13H12O6S2.C12H6F4O4S.2C12H10O5S.C12H10O4S.C10H8O5S.C10H6O5S.2C10H8O4S.2C10H8O3S.C8H8O5S.C7H4F4O4S.C7H8O4S.C6HF5O3S.C6H2F4O4S/c18-16(22-14-1-3-15(4-2-14)23(19,20)21)17-8-11-5-12(9-17)7-13(6-11)10-17;1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16;13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6;1-8(13)17-11-4-2-10-7-12(18(14,15)16)5-3-9(10)6-11;1-8(13)17-11-6-7-12(18(14,15)16)10-5-3-2-4-9(10)11;13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10;11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;1-15-6-2(8)4(10)7(16(12,13)14)5(11)3(6)9;1-11-6-2-4-7(5-3-6)12(8,9)10;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-1-3(9)6(15(12,13)14)4(10)2(8)5(1)11/h1-4,11-13H,5-10H2,(H,19,20,21);2-9H,1H3,(H,14,15,16);1-5H,(H,17,18,19);2*2-7H,1H3,(H,14,15,16);1-9H,(H,13,14,15);1-5,11-12H,(H,13,14,15);1-5H,(H,13,14,15);2*1-6,11H,(H,12,13,14);2*1-7H,(H,11,12,13);2-5H,1H3,(H,10,11,12);1H3,(H,12,13,14);2-5H,1H3,(H,8,9,10);(H,12,13,14);11H,(H,12,13,14)/p-17
• InChIKey: ALHDMWKBTKCSRF-UHFFFAOYSA-A
• XLogP: 25.33
• TPSA: 1293.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 73
• Rotatable Bonds: 31
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4254.95
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate?

The IUPAC name of 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate (CID 157151347) is 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate.

What is the SMILES notation for 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate?

The canonical SMILES for 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate is CC(=O)Oc1ccc(S(=O)(=O)[O-])c2ccccc12.CC(=O)Oc1ccc(S(=O)(=O)[O-])cc1.CC(=O)Oc1ccc2cc(S(=O)(=O)[O-])ccc2c1.COc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.O=C(Oc1ccc(S(=O)(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2.O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(O)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(Oc2ccccc2)c(F)c1F.O=S(=O)([O-])c1ccc(O)c2ccccc12.O=S(=O)([O-])c1ccc(Oc2ccccc2)cc1.O=S(=O)([O-])c1ccc2cc(O)c(O)cc2c1.O=S(=O)([O-])c1ccc2cc(O)ccc2c1.O=S(=O)([O-])c1ccc2ccccc2c1.O=S(=O)([O-])c1cccc2ccccc12.

What is the InChIKey of 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate?

The InChIKey is ALHDMWKBTKCSRF-UHFFFAOYSA-A. The full InChI is InChI=1S/C17H20O5S.C13H12O6S2.C12H6F4O4S.2C12H10O5S.C12H10O4S.C10H8O5S.C10H6O5S.2C10H8O4S.2C10H8O3S.C8H8O5S.C7H4F4O4S.C7H8O4S.C6HF5O3S.C6H2F4O4S/c18-16(22-14-1-3-15(4-2-14)23(19,20)21)17-8-11-5-12(9-17)7-13(6-11)10-17;1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16;13-7-9(15)12(21(17,18)19)10(16)8(14)11(7)20-6-4-2-1-3-5-6;1-8(13)17-11-4-2-10-7-12(18(14,15)16)5-3-9(10)6-11;1-8(13)17-11-6-7-12(18(14,15)16)10-5-3-2-4-9(10)11;13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10;11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-6(9)13-7-2-4-8(5-3-7)14(10,11)12;1-15-6-2(8)4(10)7(16(12,13)14)5(11)3(6)9;1-11-6-2-4-7(5-3-6)12(8,9)10;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-1-3(9)6(15(12,13)14)4(10)2(8)5(1)11/h1-4,11-13H,5-10H2,(H,19,20,21);2-9H,1H3,(H,14,15,16);1-5H,(H,17,18,19);2*2-7H,1H3,(H,14,15,16);1-9H,(H,13,14,15);1-5,11-12H,(H,13,14,15);1-5H,(H,13,14,15);2*1-6,11H,(H,12,13,14);2*1-7H,(H,11,12,13);2-5H,1H3,(H,10,11,12);1H3,(H,12,13,14);2-5H,1H3,(H,8,9,10);(H,12,13,14);11H,(H,12,13,14)/p-17.

What are the key properties of 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate?

4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate has a molecular weight of 4254.95 g/mol, XLogP of 25.33, 31 rotatable bonds, 5 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyloxybenzenesulfonate;4-acetyloxynaphthalene-1-sulfonate;6-acetyloxynaphthalene-2-sulfonate;4-(adamantane-1-carbonyloxy)benzenesulfonate;6,7-dihydroxynaphthalene-2-sulfonate;3,4-dioxonaphthalene-1-sulfonate;4-hydroxynaphthalene-1-sulfonate;6-hydroxynaphthalene-2-sulfonate;4-methoxybenzenesulfonate;4-(4-methylphenyl)sulfonyloxybenzenesulfonate;naphthalene-1-sulfonate;naphthalene-2-sulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;4-phenoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-hydroxybenzenesulfonate;2,3,5,6-tetrafluoro-4-methoxybenzenesulfonate;2,3,5,6-tetrafluoro-4-phenoxybenzenesulfonate is sourced from PubChem (CID 157151347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).