4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate

C135H157F3O52S10-10 — CID 165051729

IUPAC4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate
SMILESCC(C)(C)c1ccc(C(=O)OCCCS(=O)(=O)[O-])cc1.CCCCCCCCCCCC(=O)OCCCS(=O)(=O)[O-].COc1ccc(C(=O)OCCCS(=O)(=O)[O-])cc1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCCS(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OCCCS(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCCCS(=O)(=O)[O-])c1cccc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccccc1.O=C(OCCCS(=O)(=O)[O-])c1ccco1
InChIInChI=1S/C18H16O5S.C16H16O5S.C15H21F3O5S.C15H30O5S.2C14H14O5S.C14H20O5S.C11H14O6S.C10H12O5S.C8H10O6S/c19-18(23-10-5-11-24(20,21)22)17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17;17-16(21-11-4-12-22(18,19)20)15-9-7-14(8-10-15)13-5-2-1-3-6-13;16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;1-2-3-4-5-6-7-8-9-10-12-15(16)20-13-11-14-21(17,18)19;15-14(19-9-4-10-20(16,17)18)13-8-3-6-11-5-1-2-7-12(11)13;15-14(19-8-3-9-20(16,17)18)13-7-6-11-4-1-2-5-12(11)10-13;1-14(2,3)12-7-5-11(6-8-12)13(15)19-9-4-10-20(16,17)18;1-16-10-5-3-9(4-6-10)11(12)17-7-2-8-18(13,14)15;11-10(9-5-2-1-3-6-9)15-7-4-8-16(12,13)14;9-8(7-3-1-4-13-7)14-5-2-6-15(10,11)12/h1-4,6-9,12H,5,10-11H2,(H,20,21,22);1-3,5-10H,4,11-12H2,(H,18,19,20);9-12H,1-8H2,(H,20,21,22);2-14H2,1H3,(H,17,18,19);1-3,5-8H,4,9-10H2,(H,16,17,18);1-2,4-7,10H,3,8-9H2,(H,16,17,18);5-8H,4,9-10H2,1-3H3,(H,16,17,18);3-6H,2,7-8H2,1H3,(H,13,14,15);1-3,5-6H,4,7-8H2,(H,12,13,14);1,3-4H,2,5-6H2,(H,10,11,12)/p-10
InChIKeyPTOLQVRUGCMASO-UHFFFAOYSA-D
MW2989.35 g/mol
LogP19.41
Rot. Bonds62

About 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate

4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate (PubChem CID 165051729) has the molecular formula C135H157F3O52S10-10 and a molecular weight of 2989.35 g/mol. Its IUPAC name is 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate.

Molecular Properties

Compound Name4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate
PubChem CID165051729
Molecular FormulaC135H157F3O52S10-10
Molecular Weight2989.35 g/mol
Exact Mass2986.69
IUPAC Name4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate
SMILESCC(C)(C)c1ccc(C(=O)OCCCS(=O)(=O)[O-])cc1.CCCCCCCCCCCC(=O)OCCCS(=O)(=O)[O-].COc1ccc(C(=O)OCCCS(=O)(=O)[O-])cc1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCCS(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OCCCS(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCCCS(=O)(=O)[O-])c1cccc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccccc1.O=C(OCCCS(=O)(=O)[O-])c1ccco1
InChIInChI=1S/C18H16O5S.C16H16O5S.C15H21F3O5S.C15H30O5S.2C14H14O5S.C14H20O5S.C11H14O6S.C10H12O5S.C8H10O6S/c19-18(23-10-5-11-24(20,21)22)17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17;17-16(21-11-4-12-22(18,19)20)15-9-7-14(8-10-15)13-5-2-1-3-6-13;16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;1-2-3-4-5-6-7-8-9-10-12-15(16)20-13-11-14-21(17,18)19;15-14(19-9-4-10-20(16,17)18)13-8-3-6-11-5-1-2-7-12(11)13;15-14(19-8-3-9-20(16,17)18)13-7-6-11-4-1-2-5-12(11)10-13;1-14(2,3)12-7-5-11(6-8-12)13(15)19-9-4-10-20(16,17)18;1-16-10-5-3-9(4-6-10)11(12)17-7-2-8-18(13,14)15;11-10(9-5-2-1-3-6-9)15-7-4-8-16(12,13)14;9-8(7-3-1-4-13-7)14-5-2-6-15(10,11)12/h1-4,6-9,12H,5,10-11H2,(H,20,21,22);1-3,5-10H,4,11-12H2,(H,18,19,20);9-12H,1-8H2,(H,20,21,22);2-14H2,1H3,(H,17,18,19);1-3,5-8H,4,9-10H2,(H,16,17,18);1-2,4-7,10H,3,8-9H2,(H,16,17,18);5-8H,4,9-10H2,1-3H3,(H,16,17,18);3-6H,2,7-8H2,1H3,(H,13,14,15);1-3,5-6H,4,7-8H2,(H,12,13,14);1,3-4H,2,5-6H2,(H,10,11,12)/p-10
InChIKeyPTOLQVRUGCMASO-UHFFFAOYSA-D
XLogP19.41
TPSA857.37 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds62
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002989.35
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate with MolForge

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Related Compounds

1,1-Difluoro-2-(furan-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate
CID 123343119
1,1-difluoro-2-[(Z)-4-oxo-4-(2,4,6-triiodophenoxy)but-2-enoyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2,4,6-triiodophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2,4,6-triiodophenoxy)carbonylnaphthalene-1-carbonyl]oxyethanesulfonate;2-[6-(2,4,6-triiodophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(2,4,6-triiodophenoxy)carbonyladamantane-1-carbonyl]oxyethanesulfonate;2-[4-(2,4,6-triiodophenoxy)carbonylbenzoyl]oxyethanesulfonate;2-[6-(2,4,6-triiodophenoxy)carbonylnaphthalene-2-carbonyl]oxyethanesulfonate
CID 157210983
CID 157407790
CID 157407790
CID 157428538
CID 157428538
(2,2-Difluoro-2-methoxysulfonylethyl) benzoate;(2,2-difluoro-2-methoxysulfonylethyl) 3-fluorobenzoate;(2,2-difluoro-2-methoxysulfonylethyl) 2-(4-methoxyphenyl)acetate;(2,2-difluoro-2-methoxysulfonylethyl) naphthalene-2-carboxylate;(2,2-difluoro-2-methoxysulfonylethyl) 2-phenoxyacetate;(2,2-difluoro-2-methoxysulfonylethyl) 2-phenylacetate;(2,2-difluoro-2-methoxysulfonylethyl) 4-phenylbenzoate;2-ethoxycarbonyloxy-1,1-difluoroethanesulfonic acid;2-ethylsulfanylcarbonyloxy-1,1-difluoroethanesulfonic acid
CID 157477568
1,1-Difluoro-2-[2-(2-methylbenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-methylbenzoate;1,1-difluoro-2-[2-(2,3,5-trimethylbenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-trimethylbenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[3-(3-methylbenzoyl)oxypropanoyloxy]ethanesulfonate;2-[4-(2,3,5-trimethylbenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-trimethylbenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-trimethylbenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[4-(2,3,5-trimethylbenzoyl)oxycyclohex-2-ene-1-carbonyl]oxyethanesulfonate
CID 157530989
1,1-difluoro-2-[(Z)-4-oxo-4-(2,4,6-trimethylphenoxy)but-2-enoyl]oxyethanesulfonate;1,1-difluoro-2-[6-oxo-6-(2,4,6-trimethylphenoxy)hexanoyl]oxyethanesulfonate;1,1-difluoro-2-[8-(2,4,6-trimethylphenoxy)carbonylnaphthalene-1-carbonyl]oxyethanesulfonate;2-[5-oxo-5-(2,4,6-trimethylphenoxy)pentanoyl]oxyethanesulfonate;2-[2-(2,4,6-trimethylphenoxy)carbonylbenzoyl]oxyethanesulfonate;2-[2-(2,4,6-trimethylphenoxy)carbonylcyclohexanecarbonyl]oxyethanesulfonate;2-[4-(2,4,6-trimethylphenoxy)carbonylcyclohexanecarbonyl]oxyethanesulfonate
CID 157536135
2-(Anthracene-9-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-benzoyloxy-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-(3-fluorobenzoyl)oxyethanesulfonic acid;1,1-difluoro-2-[2-(4-methoxyphenyl)acetyl]oxyethanesulfonic acid;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonic acid;1,1-difluoro-2-(2-phenoxyacetyl)oxyethanesulfonic acid;1,1-difluoro-2-(2-phenylacetyl)oxyethanesulfonic acid;1,1-difluoro-2-(4-phenylbenzoyl)oxyethanesulfonic acid;1,1-difluoro-2-(2-phenylsulfanylacetyl)oxyethanesulfonic acid
CID 157641990
2-[4-Bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157653034
CID 157699600
CID 157699600
CID 157730594
CID 157730594
1,1-difluoro-2-[(Z)-4-oxo-4-(2,4,6-trimethylphenoxy)but-2-enoyl]oxypropane-1-sulfonate;1,1-difluoro-2-[6-oxo-6-(2,4,6-trimethylphenoxy)hexanoyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[8-(2,4,6-trimethylphenoxy)carbonylnaphthalene-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-trimethylphenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-trimethylphenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-trimethylphenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(2,4,6-trimethylphenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate
CID 157789464

Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate?
The IUPAC name of 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate (CID 165051729) is 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate.
What is the SMILES notation for 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate?
The canonical SMILES for 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate is CC(C)(C)c1ccc(C(=O)OCCCS(=O)(=O)[O-])cc1.CCCCCCCCCCCC(=O)OCCCS(=O)(=O)[O-].COc1ccc(C(=O)OCCCS(=O)(=O)[O-])cc1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCCS(=O)(=O)[O-])c1c2ccccc2cc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccc(-c2ccccc2)cc1.O=C(OCCCS(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCCCS(=O)(=O)[O-])c1cccc2ccccc12.O=C(OCCCS(=O)(=O)[O-])c1ccccc1.O=C(OCCCS(=O)(=O)[O-])c1ccco1.
What is the InChIKey of 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate?
The InChIKey is PTOLQVRUGCMASO-UHFFFAOYSA-D. The full InChI is InChI=1S/C18H16O5S.C16H16O5S.C15H21F3O5S.C15H30O5S.2C14H14O5S.C14H20O5S.C11H14O6S.C10H12O5S.C8H10O6S/c19-18(23-10-5-11-24(20,21)22)17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17;17-16(21-11-4-12-22(18,19)20)15-9-7-14(8-10-15)13-5-2-1-3-6-13;16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;1-2-3-4-5-6-7-8-9-10-12-15(16)20-13-11-14-21(17,18)19;15-14(19-9-4-10-20(16,17)18)13-8-3-6-11-5-1-2-7-12(11)13;15-14(19-8-3-9-20(16,17)18)13-7-6-11-4-1-2-5-12(11)10-13;1-14(2,3)12-7-5-11(6-8-12)13(15)19-9-4-10-20(16,17)18;1-16-10-5-3-9(4-6-10)11(12)17-7-2-8-18(13,14)15;11-10(9-5-2-1-3-6-9)15-7-4-8-16(12,13)14;9-8(7-3-1-4-13-7)14-5-2-6-15(10,11)12/h1-4,6-9,12H,5,10-11H2,(H,20,21,22);1-3,5-10H,4,11-12H2,(H,18,19,20);9-12H,1-8H2,(H,20,21,22);2-14H2,1H3,(H,17,18,19);1-3,5-8H,4,9-10H2,(H,16,17,18);1-2,4-7,10H,3,8-9H2,(H,16,17,18);5-8H,4,9-10H2,1-3H3,(H,16,17,18);3-6H,2,7-8H2,1H3,(H,13,14,15);1-3,5-6H,4,7-8H2,(H,12,13,14);1,3-4H,2,5-6H2,(H,10,11,12)/p-10.
What are the key properties of 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate?
4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate has a molecular weight of 2989.35 g/mol, XLogP of 19.41, 62 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;3-(anthracene-9-carbonyloxy)propane-1-sulfonate;3-benzoyloxypropane-1-sulfonate;3-(4-tert-butylbenzoyl)oxypropane-1-sulfonate;3-dodecanoyloxypropane-1-sulfonate;3-(furan-2-carbonyloxy)propane-1-sulfonate;3-(4-methoxybenzoyl)oxypropane-1-sulfonate;3-(naphthalene-1-carbonyloxy)propane-1-sulfonate;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;3-(4-phenylbenzoyl)oxypropane-1-sulfonate is sourced from PubChem (CID 165051729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).