3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

C138H95Br21F27O49S7-7 — CID 158224114

IUPAC3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESCC(CS(=O)(=O)[O-])(OC(=O)/C=C\C(=O)Oc1c(Br)cc(Br)cc1Br)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C12CC3CC(CC(C(=O)Oc4c(Br)cc(Br)cc4Br)(C3)C1)C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCC2CC(C(=O)Oc3c(Br)cc(Br)cc3Br)CCC2C1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc(C(=O)Oc2c(Br)cc(Br)cc2Br)cc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2cc(C(=O)Oc3c(Br)cc(Br)cc3Br)ccc2c1)C(F)(F)F.O=C(Oc1c(Br)cc(Br)cc1Br)c1cccc2cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c12.O=C(Oc1c(Br)cc(Br)cc1Br)c1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H11Br3F6O7S.C22H22Br3F3O7S.C22H24Br3F3O7S.C22H14Br3F3O7S.C18H9Br3F6O7S.C18H12Br3F3O7S.C14H10Br3F3O7S/c23-11-7-14(24)17(15(25)8-11)37-18(32)12-5-1-3-10-4-2-6-13(16(10)12)19(33)38-20(21(26,27)28,22(29,30)31)9-39(34,35)36;1-19(22(26,27)28,10-36(31,32)33)35-18(30)21-7-11-2-12(8-21)6-20(5-11,9-21)17(29)34-16-14(24)3-13(23)4-15(16)25;2*1-21(22(26,27)28,10-36(31,32)33)35-20(30)14-5-3-11-6-13(4-2-12(11)7-14)19(29)34-18-16(24)8-15(23)9-17(18)25;19-8-5-11(20)13(12(21)6-8)33-14(28)9-3-1-2-4-10(9)15(29)34-16(17(22,23)24,18(25,26)27)7-35(30,31)32;1-17(18(22,23)24,8-32(27,28)29)31-16(26)10-4-2-9(3-5-10)15(25)30-14-12(20)6-11(19)7-13(14)21;1-13(14(18,19)20,6-28(23,24)25)27-11(22)3-2-10(21)26-12-8(16)4-7(15)5-9(12)17/h1-8H,9H2,(H,34,35,36);3-4,11-12H,2,5-10H2,1H3,(H,31,32,33);8-9,11-14H,2-7,10H2,1H3,(H,31,32,33);2-9H,10H2,1H3,(H,31,32,33);1-6H,7H2,(H,30,31,32);2-7H,8H2,1H3,(H,27,28,29);2-5H,6H2,1H3,(H,23,24,25)/p-7/b;;;;;;3-2-
InChIKeyGDPBDJNJQJKLHJ-CHIYSJEWSA-G
MW4952.63 g/mol
LogP40.10
Rot. Bonds42

About 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 158224114) has the molecular formula C138H95Br21F27O49S7-7 and a molecular weight of 4952.63 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID158224114
Molecular FormulaC138H95Br21F27O49S7-7
Molecular Weight4952.63 g/mol
Exact Mass4929.54
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESCC(CS(=O)(=O)[O-])(OC(=O)/C=C\C(=O)Oc1c(Br)cc(Br)cc1Br)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C12CC3CC(CC(C(=O)Oc4c(Br)cc(Br)cc4Br)(C3)C1)C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCC2CC(C(=O)Oc3c(Br)cc(Br)cc3Br)CCC2C1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc(C(=O)Oc2c(Br)cc(Br)cc2Br)cc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2cc(C(=O)Oc3c(Br)cc(Br)cc3Br)ccc2c1)C(F)(F)F.O=C(Oc1c(Br)cc(Br)cc1Br)c1cccc2cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c12.O=C(Oc1c(Br)cc(Br)cc1Br)c1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H11Br3F6O7S.C22H22Br3F3O7S.C22H24Br3F3O7S.C22H14Br3F3O7S.C18H9Br3F6O7S.C18H12Br3F3O7S.C14H10Br3F3O7S/c23-11-7-14(24)17(15(25)8-11)37-18(32)12-5-1-3-10-4-2-6-13(16(10)12)19(33)38-20(21(26,27)28,22(29,30)31)9-39(34,35)36;1-19(22(26,27)28,10-36(31,32)33)35-18(30)21-7-11-2-12(8-21)6-20(5-11,9-21)17(29)34-16-14(24)3-13(23)4-15(16)25;2*1-21(22(26,27)28,10-36(31,32)33)35-20(30)14-5-3-11-6-13(4-2-12(11)7-14)19(29)34-18-16(24)8-15(23)9-17(18)25;19-8-5-11(20)13(12(21)6-8)33-14(28)9-3-1-2-4-10(9)15(29)34-16(17(22,23)24,18(25,26)27)7-35(30,31)32;1-17(18(22,23)24,8-32(27,28)29)31-16(26)10-4-2-9(3-5-10)15(25)30-14-12(20)6-11(19)7-13(14)21;1-13(14(18,19)20,6-28(23,24)25)27-11(22)3-2-10(21)26-12-8(16)4-7(15)5-9(12)17/h1-8H,9H2,(H,34,35,36);3-4,11-12H,2,5-10H2,1H3,(H,31,32,33);8-9,11-14H,2-7,10H2,1H3,(H,31,32,33);2-9H,10H2,1H3,(H,31,32,33);1-6H,7H2,(H,30,31,32);2-7H,8H2,1H3,(H,27,28,29);2-5H,6H2,1H3,(H,23,24,25)/p-7/b;;;;;;3-2-
InChIKeyGDPBDJNJQJKLHJ-CHIYSJEWSA-G
XLogP40.10
TPSA768.60 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds42
Heavy Atoms242
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004952.63
LogP ≤ 540.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 158224114) is 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is CC(CS(=O)(=O)[O-])(OC(=O)/C=C\C(=O)Oc1c(Br)cc(Br)cc1Br)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C12CC3CC(CC(C(=O)Oc4c(Br)cc(Br)cc4Br)(C3)C1)C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCC2CC(C(=O)Oc3c(Br)cc(Br)cc3Br)CCC2C1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc(C(=O)Oc2c(Br)cc(Br)cc2Br)cc1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1ccc2cc(C(=O)Oc3c(Br)cc(Br)cc3Br)ccc2c1)C(F)(F)F.O=C(Oc1c(Br)cc(Br)cc1Br)c1cccc2cccc(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c12.O=C(Oc1c(Br)cc(Br)cc1Br)c1ccccc1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is GDPBDJNJQJKLHJ-CHIYSJEWSA-G. The full InChI is InChI=1S/C22H11Br3F6O7S.C22H22Br3F3O7S.C22H24Br3F3O7S.C22H14Br3F3O7S.C18H9Br3F6O7S.C18H12Br3F3O7S.C14H10Br3F3O7S/c23-11-7-14(24)17(15(25)8-11)37-18(32)12-5-1-3-10-4-2-6-13(16(10)12)19(33)38-20(21(26,27)28,22(29,30)31)9-39(34,35)36;1-19(22(26,27)28,10-36(31,32)33)35-18(30)21-7-11-2-12(8-21)6-20(5-11,9-21)17(29)34-16-14(24)3-13(23)4-15(16)25;2*1-21(22(26,27)28,10-36(31,32)33)35-20(30)14-5-3-11-6-13(4-2-12(11)7-14)19(29)34-18-16(24)8-15(23)9-17(18)25;19-8-5-11(20)13(12(21)6-8)33-14(28)9-3-1-2-4-10(9)15(29)34-16(17(22,23)24,18(25,26)27)7-35(30,31)32;1-17(18(22,23)24,8-32(27,28)29)31-16(26)10-4-2-9(3-5-10)15(25)30-14-12(20)6-11(19)7-13(14)21;1-13(14(18,19)20,6-28(23,24)25)27-11(22)3-2-10(21)26-12-8(16)4-7(15)5-9(12)17/h1-8H,9H2,(H,34,35,36);3-4,11-12H,2,5-10H2,1H3,(H,31,32,33);8-9,11-14H,2-7,10H2,1H3,(H,31,32,33);2-9H,10H2,1H3,(H,31,32,33);1-6H,7H2,(H,30,31,32);2-7H,8H2,1H3,(H,27,28,29);2-5H,6H2,1H3,(H,23,24,25)/p-7/b;;;;;;3-2-.
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 4952.63 g/mol, XLogP of 40.10, 42 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(Z)-4-oxo-4-(2,4,6-tribromophenoxy)but-2-enoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[3-(2,4,6-tribromophenoxy)carbonyladamantane-1-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[4-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-[6-(2,4,6-tribromophenoxy)carbonylnaphthalene-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[2-(2,4,6-tribromophenoxy)carbonylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[8-(2,4,6-tribromophenoxy)carbonylnaphthalene-1-carbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 158224114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).