About 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate
2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate (PubChem CID 162237368) has the molecular formula C157H235O72S15-15
and a molecular weight of 3755.54 g/mol. Its IUPAC name is 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
The IUPAC name of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate (CID 162237368) is 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate.
What is the SMILES notation for 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
The canonical SMILES for 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate is CC(=O)OCCS(=O)(=O)[O-].CC(C)(C)C(=O)OCCS(=O)(=O)[O-].CC(C)c1cc(C(C)C)c(C(=O)OCCS(=O)(=O)[O-])c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CC12CCC(C(=O)OCCS(=O)(=O)[O-])(OC1=O)C2(C)C.CCS(=O)(=O)[O-].CS(=O)(=O)[O-].C[C@H](CCC(=O)OCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=C(OCCS(=O)(=O)[O-])c1ccccc1.O=C1C2CC3CC1CC(C(=O)OCCS(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])CCCO.O=S(=O)([O-])CCO.
What is the InChIKey of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
The InChIKey is NDFRJMKOHDWNIQ-AVIYMGKASA-A. The full InChI is InChI=1S/C27H40O5S.C26H38O8S.C18H28O5S.C13H18O6S.C13H20O5S.C12H18O7S.C10H16O4S.C10H16O3S.C9H10O5S.C7H14O5S.C4H8O5S.C3H8O4S.C2H6O4S.C2H6O3S.CH4O3S/c28-27(32-16-17-33(29,30)31)26-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(26)22-14-8-3-9-15-22;1-15(4-7-23(30)34-10-11-35(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(27)12-16(25)13-21(24)28;1-11(2)14-9-15(12(3)4)17(16(10-14)13(5)6)18(19)23-7-8-24(20,21)22;14-11-9-3-8-4-10(11)7-13(5-8,6-9)12(15)19-1-2-20(16,17)18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;1-10(2)11(3)4-5-12(10,19-8(11)13)9(14)18-6-7-20(15,16)17;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10;10-9(8-4-2-1-3-5-8)14-6-7-15(11,12)13;1-7(2,3)6(8)12-4-5-13(9,10)11;1-4(5)9-2-3-10(6,7)8;4-2-1-3-8(5,6)7;3-1-2-7(4,5)6;1-2-6(3,4)5;1-5(2,3)4/h18-22H,1-17H2,(H,29,30,31);15-16,18-20,24H,4-14H2,1-3H3,(H,31,32,33);9-13H,7-8H2,1-6H3,(H,20,21,22);8-10H,1-7H2,(H,16,17,18);9-11H,1-8H2,(H,15,16,17);4-7H2,1-3H3,(H,15,16,17);7H,3-6H2,1-2H3,(H,12,13,14);7-9H,1-6H2,(H,11,12,13);1-5H,6-7H2,(H,11,12,13);4-5H2,1-3H3,(H,9,10,11);2-3H2,1H3,(H,6,7,8);4H,1-3H2,(H,5,6,7);3H,1-2H2,(H,4,5,6);2H2,1H3,(H,3,4,5);1H3,(H,2,3,4)/p-15/t;15-,16+,18-,19+,20+,24+,25+,26-;;;;;;;;;;;;;/m.1............./s1.
What are the key properties of 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate?
2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate has a molecular weight of 3755.54 g/mol, XLogP of 13.51, 52 rotatable bonds, 2 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethanesulfonate;2-(adamantane-1-carbonyloxy)ethanesulfonate;adamantane-1-sulfonate;2-benzoyloxyethanesulfonate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;2-(2,2-dimethylpropanoyloxy)ethanesulfonate;2-[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyethanesulfonate;ethanesulfonate;2-hydroxyethanesulfonate;3-hydroxypropane-1-sulfonate;methanesulfonate;2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;2-(2,4,6-tricyclohexylbenzoyl)oxyethanesulfonate;2-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxyethanesulfonate;2-[2,4,6-tri(propan-2-yl)benzoyl]oxyethanesulfonate is sourced from PubChem (CID 162237368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).