CAS RN: 10047-08-2
CAS Name: (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C21H24Cl2N2O3
MOLECULAR WEIGHT: 423.33286
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 10046-00-1
CAS Name: hydroxylamine; sulfuric acid
OPENEYE Name: hydroxylamine; sulfuric acid
IUPAC Name: hydroxylamine; sulfuric acid
SYSTEMATIC NAME: azinous acid; sulfuric acid
MOLECULAR FORMULA: H5NO5S
MOLECULAR WEIGHT: 131.1084
SMILES: NO.OS(=O)(=O)O
Structure:
CAS RN: 10045-95-1
CAS Name: neodymium(3+); nitric acid
OPENEYE Name: neodymium(3+); nitric acid
IUPAC Name: neodymium(3+); nitric acid
SYSTEMATIC NAME: neodymium(3+); nitric acid
MOLECULAR FORMULA: H3N3NdO9+3
MOLECULAR WEIGHT: 333.27852
SMILES: [N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[Nd+3]
Structure:
CAS RN: 10043-22-8
CAS Name: potassium oxalate
OPENEYE Name: potassium oxalate
IUPAC Name: potassium oxalate
SYSTEMATIC NAME: potassium ethanedioate
MOLECULAR FORMULA: C2KO4-
MOLECULAR WEIGHT: 127.1173
SMILES: C(=O)(C(=O)[O-])[O-].[K+]
Structure:
CAS RN: 10030-90-7
CAS Name: butanedioic acid; iron(2+)
OPENEYE Name: ferrous succinic acid
IUPAC Name: butanedioic acid; iron(2+)
SYSTEMATIC NAME: butanedioic acid; iron(2+)
MOLECULAR FORMULA: C4H6FeO4+2
MOLECULAR WEIGHT: 173.93304
SMILES: C(CC(=O)O)C(=O)O.[Fe+2]
Structure:
CAS RN: 10025-70-4
CAS Name: strontium dichloride hexahydrate
OPENEYE Name: strontium dichloride hexahydrate
IUPAC Name: strontium dichloride hexahydrate
SYSTEMATIC NAME: strontium dichloride hexahydrate
MOLECULAR FORMULA: Cl2H12O6Sr
MOLECULAR WEIGHT: 266.61768
SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Sr+2]
Structure:
CAS RN: 152751-57-0
CAS Name: 2-(chloromethyl)oxirane; 2-propen-1-amine; hydrochloride
OPENEYE Name: 2-(chloromethyl)oxirane; prop-2-en-1-amine; hydrochloride
IUPAC Name: 2-(chloromethyl)oxirane; prop-2-en-1-amine; hydrochloride
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; prop-2-en-1-amine; hydrochloride
MOLECULAR FORMULA: C6H13Cl2NO
MOLECULAR WEIGHT: 186.07952
SMILES: C=CCN.C1C(O1)CCl.Cl
Structure:
CAS RN: 182683-00-7
CAS Name: 2-(chloromethyl)oxirane; 2-propen-1-amine; hydrochloride
OPENEYE Name: 2-(chloromethyl)oxirane; prop-2-en-1-amine; hydrochloride
IUPAC Name: 2-(chloromethyl)oxirane; prop-2-en-1-amine; hydrochloride
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; prop-2-en-1-amine; hydrochloride
MOLECULAR FORMULA: C6H13Cl2NO
MOLECULAR WEIGHT: 186.07952
SMILES: C=CCN.C1C(O1)CCl.Cl
Structure:
CAS RN: 119053-19-9
CAS Name: (9S,10S)-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
OPENEYE Name: (9S,10S)-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
IUPAC Name: (9S,10S)-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
SYSTEMATIC NAME: (9S,10S)-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
MOLECULAR FORMULA: C20H16O2
MOLECULAR WEIGHT: 288.33984
SMILES: C1CC2=C3C1=CC=CC3=CC4=C2C=CC5=C4C=C[C@@H]([C@H]5O)O
Structure:
CAS RN: 88256-05-7
CAS Name: 1,3,4-trimethoxy-2-dibenzofuranol
OPENEYE Name: 1,3,4-trimethoxydibenzofuran-2-ol
IUPAC Name: 1,3,4-trimethoxydibenzofuran-2-ol
SYSTEMATIC NAME: 1,3,4-trimethoxydibenzofuran-2-ol
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)OC)O
Structure:
CAS RN: 88256-04-6
CAS Name: 1,2,4-trimethoxy-3-dibenzofuranol
OPENEYE Name: 1,2,4-trimethoxydibenzofuran-3-ol
IUPAC Name: 1,2,4-trimethoxydibenzofuran-3-ol
SYSTEMATIC NAME: 1,2,4-trimethoxydibenzofuran-3-ol
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=C(C(=C(C2=C1C3=CC=CC=C3O2)OC)O)OC
Structure:
CAS RN: 88212-12-8
CAS Name: (4R,12R,20R,28R)-4,12,20,28-tetrahydroxytritriacontane-2,10,18,26-tetrone
OPENEYE Name: (4R,12R,20R,28R)-4,12,20,28-tetrahydroxytritriacontane-2,10,18,26-tetrone
IUPAC Name: (4R,12R,20R,28R)-4,12,20,28-tetrahydroxytritriacontane-2,10,18,26-tetrone
SYSTEMATIC NAME: (4R,12R,20R,28R)-4,12,20,28-tetrakis(oxidanyl)tritriacontane-2,10,18,26-tetrone
MOLECULAR FORMULA: C33H60O8
MOLECULAR WEIGHT: 584.8247
SMILES: CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)C)O)O)O)O
Structure:
CAS RN: 88145-47-5
CAS Name: 2-[2-(diethylamino)ethyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-[2-(diethylamino)ethyl]-6-nitro-benzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-[2-(diethylamino)ethyl]-6-nitrobenzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-[2-(diethylamino)ethyl]-6-nitro-benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C18H19N3O4
MOLECULAR WEIGHT: 341.36116
SMILES: CCN(CC)CCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O
Structure:
CAS RN: 88130-99-8
CAS Name: (1'S,2R,4S,5'R)-5,7-dihydroxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydro-2H-1-benzopyran-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarboxaldehyde
OPENEYE Name: (1'R,2R,4S,5'S)-5,7-dihydroxy-4-isobutyl-6',6'-dimethyl-spiro[chromane-2,2'-norpinane]-6,8-dicarbaldehyde
IUPAC Name: (1'S,2R,4S,5'R)-5,7-dihydroxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarbaldehyde
SYSTEMATIC NAME: (1'S,2R,4S,5'R)-6',6'-dimethyl-4-(2-methylpropyl)-5,7-bis(oxidanyl)spiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarbaldehyde
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: CC(C)C[C@H]1C[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
Structure:
CAS RN: 116244-12-3
CAS Name: 4-[[4,6-bis[4-[2-ethylhexoxy(oxo)methyl]anilino]-1,3,5-triazin-2-yl]amino]benzoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
IUPAC Name: 2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
SYSTEMATIC NAME: 2-ethylhexyl 4-[[4,6-bis[[4-(2-ethylhexoxycarbonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzoate
MOLECULAR FORMULA: C48H66N6O6
MOLECULAR WEIGHT: 823.07424
SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC
Structure:
CAS RN: 88122-99-0
CAS Name: 4-[[4,6-bis[4-[2-ethylhexoxy(oxo)methyl]anilino]-1,3,5-triazin-2-yl]amino]benzoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
IUPAC Name: 2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate
SYSTEMATIC NAME: 2-ethylhexyl 4-[[4,6-bis[[4-(2-ethylhexoxycarbonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzoate
MOLECULAR FORMULA: C48H66N6O6
MOLECULAR WEIGHT: 823.07424
SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC
Structure:
CAS RN: 88010-42-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H24O9
MOLECULAR WEIGHT: 528.50616
SMILES: C1C(C(OC2=C3C4CC(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC=C(C=C6)O)C7=CC=C(C=C7)O)O
Structure:
CAS RN: 87912-47-8
CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid propyl ester bromide
OPENEYE Name: propyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide
IUPAC Name: propyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide
SYSTEMATIC NAME: propyl 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate bromide
MOLECULAR FORMULA: C12H14BrNO2S
MOLECULAR WEIGHT: 316.21406
SMILES: CCCOC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]
Structure:
CAS RN: 87910-65-4
CAS Name: 4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide
OPENEYE Name: 4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide
IUPAC Name: 4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide
SYSTEMATIC NAME: 4-chloranyl-3-methyl-1,3-benzothiazol-3-ium iodide
MOLECULAR FORMULA: C8H7ClINS
MOLECULAR WEIGHT: 311.57035
SMILES: C[N+]1=CSC2=C1C(=CC=C2)Cl.[I-]
Structure:
CAS RN: 87910-64-3
CAS Name: 3-prop-2-enyl-1,3-benzothiazol-3-ium iodide
OPENEYE Name: 3-allyl-1,3-benzothiazol-3-ium iodide
IUPAC Name: 3-prop-2-enyl-1,3-benzothiazol-3-ium iodide
SYSTEMATIC NAME: 3-prop-2-enyl-1,3-benzothiazol-3-ium iodide
MOLECULAR FORMULA: C10H10INS
MOLECULAR WEIGHT: 303.16257
SMILES: C=CC[N+]1=CSC2=CC=CC=C21.[I-]
Structure:
CAS RN: 87910-63-2
CAS Name: 3-butyl-1,3-benzothiazol-3-ium bromide
OPENEYE Name: 3-butyl-1,3-benzothiazol-3-ium bromide
IUPAC Name: 3-butyl-1,3-benzothiazol-3-ium bromide
SYSTEMATIC NAME: 3-butyl-1,3-benzothiazol-3-ium bromide
MOLECULAR FORMULA: C11H14BrNS
MOLECULAR WEIGHT: 272.20456
SMILES: CCCC[N+]1=CSC2=CC=CC=C21.[Br-]
Structure:
CAS RN: 87879-56-9
CAS Name: (6R,14R,22R,30R,32S)-6,14,22,30,32-pentahydroxytritriacontane-8,16,24-trione
OPENEYE Name: (6R,14R,22R,30R,32S)-6,14,22,30,32-pentahydroxytritriacontane-8,16,24-trione
IUPAC Name: (6R,14R,22R,30R,32S)-6,14,22,30,32-pentahydroxytritriacontane-8,16,24-trione
SYSTEMATIC NAME: (6R,14R,22R,30R,32S)-6,14,22,30,32-pentakis(oxidanyl)tritriacontane-8,16,24-trione
MOLECULAR FORMULA: C33H62O8
MOLECULAR WEIGHT: 586.84058
SMILES: CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)CCCCC[C@H](C[C@H](C)O)O)O)O)O
Structure:
CAS RN: 87879-55-8
CAS Name: (6R,14R,22R,30R,32S,34S)-6,14,22,30,32,34-hexahydroxypentatriacontane-8,16,24-trione
OPENEYE Name: (6R,14R,22R,30R,32S,34S)-6,14,22,30,32,34-hexahydroxypentatriacontane-8,16,24-trione
IUPAC Name: (6R,14R,22R,30R,32S,34S)-6,14,22,30,32,34-hexahydroxypentatriacontane-8,16,24-trione
SYSTEMATIC NAME: (6R,14R,22R,30R,32S,34S)-6,14,22,30,32,34-hexakis(oxidanyl)pentatriacontane-8,16,24-trione
MOLECULAR FORMULA: C35H66O9
MOLECULAR WEIGHT: 630.89314
SMILES: CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)CCCCC[C@H](CC(=O)CCCCC[C@H](C[C@H](C[C@H](C)O)O)O)O)O)O
Structure:
CAS RN: 87834-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H76O18
MOLECULAR WEIGHT: 941.10624
SMILES: CC(=C[C@H]1C[C@]([C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]36C[C@@]2(O1)OC6)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H](C([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C)(C)O)C
Structure:
CAS RN: 87833-60-1
CAS Name: N-[3-acetyl-4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
OPENEYE Name: N-[3-acetyl-4-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide
IUPAC Name: N-[3-acetyl-4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SYSTEMATIC NAME: N-[3-ethanoyl-4-[(2R)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]ethanamide
MOLECULAR FORMULA: C16H24N2O4
MOLECULAR WEIGHT: 308.37276
SMILES: CC(C)NC[C@H](COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
Structure:
CAS RN: 87833-53-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O5
MOLECULAR WEIGHT: 412.51858
SMILES: CC1=C2C(=C(C3=C1COC3=O)OC)C[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4(O2)C)(C)C)C
Structure:
CAS RN: 87833-51-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O7
MOLECULAR WEIGHT: 444.51738
SMILES: CC1=C2C(=C(C3=C1COC3=O)OC)C[C@@H]4[C@]5(CCC(=O)OC([C@@]5(CC[C@@]4(O2)C)O)(C)C)C
Structure:
CAS RN: 87819-14-5
CAS Name: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzoic acid
OPENEYE Name: 2-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzoic acid
IUPAC Name: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzoic acid
SYSTEMATIC NAME: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzoic acid
MOLECULAR FORMULA: C18H24O4
MOLECULAR WEIGHT: 304.38076
SMILES: CC(C)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C(=O)O)C
Structure:
CAS RN: 87819-12-3
CAS Name: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzamide
OPENEYE Name: 2-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzamide
IUPAC Name: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzamide
SYSTEMATIC NAME: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzamide
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CC(C)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C(=O)N)C
Structure:
CAS RN: 87819-11-2
CAS Name: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile
OPENEYE Name: 2-[(4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile
IUPAC Name: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzonitrile
SYSTEMATIC NAME: 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CC(C)C12CCC(O1)(C(C2)OCC3=CC=CC=C3C#N)C
Structure:
CAS RN: 87810-43-3
CAS Name: acetic acid [(2R,3R)-3-acetyloxy-2-nitro-3-phenylpropyl] ester
OPENEYE Name: [(2R,3R)-3-acetoxy-2-nitro-3-phenyl-propyl] acetate
IUPAC Name: [(2R,3R)-3-acetyloxy-2-nitro-3-phenylpropyl] acetate
SYSTEMATIC NAME: [(2R,3R)-3-acetyloxy-2-nitro-3-phenyl-propyl] ethanoate
MOLECULAR FORMULA: C13H15NO6
MOLECULAR WEIGHT: 281.2613
SMILES: CC(=O)OC[C@H]([C@@H](C1=CC=CC=C1)OC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 87792-26-5
CAS Name: 4-ethenylcyclohexa-3,5-diene-1,2-diol
OPENEYE Name: 4-vinylcyclohexa-3,5-diene-1,2-diol
IUPAC Name: 4-ethenylcyclohexa-3,5-diene-1,2-diol
SYSTEMATIC NAME: 4-ethenylcyclohexa-3,5-diene-1,2-diol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C=CC1=CC(C(C=C1)O)O
Structure:
CAS RN: 87790-98-5
CAS Name: 6-benzo[f]quinoxalinamine
OPENEYE Name: benzo[f]quinoxalin-6-amine
IUPAC Name: benzo[f]quinoxalin-6-amine
SYSTEMATIC NAME: benzo[f]quinoxalin-6-amine
MOLECULAR FORMULA: C12H9N3
MOLECULAR WEIGHT: 195.21996
SMILES: C1=CC=C2C(=C1)C(=CC3=NC=CN=C23)N
Structure:
CAS RN: 87786-06-9
CAS Name: 2-(1-methyl-2-imidazolyl)ethanamine
OPENEYE Name: 2-(1-methylimidazol-2-yl)ethanamine
IUPAC Name: 2-(1-methylimidazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(1-methylimidazol-2-yl)ethanamine
MOLECULAR FORMULA: C6H11N3
MOLECULAR WEIGHT: 125.17164
SMILES: CN1C=CN=C1CCN
Structure:
CAS RN: 7582-21-0
CAS Name: 3-(2-methyl-1-oxoprop-2-enoxy)-1-propanesulfonic acid
OPENEYE Name: 3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
IUPAC Name: 3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
SYSTEMATIC NAME: 3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
MOLECULAR FORMULA: C7H12O5S
MOLECULAR WEIGHT: 208.23218
SMILES: CC(=C)C(=O)OCCCS(=O)(=O)O
Structure:
CAS RN: 87780-89-0
CAS Name: potassium; 3-(2-methyl-1-oxoprop-2-enoxy)-1-propanesulfonic acid; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: potassium; methyl 2-methylprop-2-enoate; 3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
IUPAC Name: potassium; methyl 2-methylprop-2-enoate; 3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
SYSTEMATIC NAME: potassium; methyl 2-methylprop-2-enoate; 3-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
MOLECULAR FORMULA: C12H20KO7S+
MOLECULAR WEIGHT: 347.4463
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCCS(=O)(=O)O.[K+]
Structure:
CAS RN: 87764-88-3
CAS Name: [3-(butylthio)prop-1-ynylthio]-diethoxy-sulfanylidenephosphorane
OPENEYE Name: 3-butylsulfanylprop-1-ynylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: 3-butylsulfanylprop-1-ynylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: 3-butylsulfanylprop-1-ynylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C11H21O2PS3
MOLECULAR WEIGHT: 312.452001
SMILES: CCCCSCC#CSP(=S)(OCC)OCC
Structure:
CAS RN: 87764-86-1
CAS Name: diethoxy-[3-(ethylthio)prop-1-ynylthio]-sulfanylidenephosphorane
OPENEYE Name: diethoxy-(3-ethylsulfanylprop-1-ynylsulfanyl)-thioxo-$l^{5}-phosphane
IUPAC Name: diethoxy-(3-ethylsulfanylprop-1-ynylsulfanyl)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-(3-ethylsulfanylprop-1-ynylsulfanyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H17O2PS3
MOLECULAR WEIGHT: 284.398841
SMILES: CCOP(=S)(OCC)SC#CCSCC
Structure:
CAS RN: 87764-85-0
CAS Name: [3-(ethylthio)prop-1-ynylthio]-dimethoxy-sulfanylidenephosphorane
OPENEYE Name: 3-ethylsulfanylprop-1-ynylsulfanyl-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: 3-ethylsulfanylprop-1-ynylsulfanyl-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: 3-ethylsulfanylprop-1-ynylsulfanyl-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C7H13O2PS3
MOLECULAR WEIGHT: 256.345681
SMILES: CCSCC#CSP(=S)(OC)OC
Structure:
CAS RN: 87764-37-2
CAS Name: (2S)-2-(N-(2-methoxy-1-oxoethyl)-2,6-dimethylanilino)propanoic acid
OPENEYE Name: (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethyl-anilino)propanoic acid
IUPAC Name: (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
SYSTEMATIC NAME: (2S)-2-[(2,6-dimethylphenyl)-(2-methoxyethanoyl)amino]propanoic acid
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)O)C(=O)COC
Structure:
CAS RN: 87758-32-5
CAS Name: acetic acid [(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxo-1-benzopyran-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] ester
OPENEYE Name: [(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxo-chromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
IUPAC Name: [(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxochromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
SYSTEMATIC NAME: [(2S,4aR,5R,8aS)-5-[(6,8-dimethoxy-2-oxidanylidene-chromen-7-yl)oxymethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C28H36O7
MOLECULAR WEIGHT: 484.58124
SMILES: CC1=CC[C@H]2[C@]([C@@H]1COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)(CC[C@@H](C2(C)C)OC(=O)C)C
Structure:
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