CAS RN: 7333-67-7
CAS Name: triphenyl(3-triphenylphosphiniumylpropyl)phosphonium bromide
OPENEYE Name: triphenyl(3-triphenylphosphaniumylpropyl)phosphonium bromide
IUPAC Name: triphenyl(3-triphenylphosphaniumylpropyl)phosphanium bromide
SYSTEMATIC NAME: triphenyl(3-triphenylphosphaniumylpropyl)phosphanium bromide
MOLECULAR FORMULA: C39H36BrP2+
MOLECULAR WEIGHT: 646.554662
SMILES: C1=CC=C(C=C1)[P+](CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]
Structure:
CAS RN: 73442-55-4
CAS Name: 2-bromo-3,4,5-triphenyl-1-cyclopenta-2,4-dienone
OPENEYE Name: 2-bromo-3,4,5-triphenyl-cyclopenta-2,4-dien-1-one
IUPAC Name: 2-bromo-3,4,5-triphenylcyclopenta-2,4-dien-1-one
SYSTEMATIC NAME: 2-bromanyl-3,4,5-triphenyl-cyclopenta-2,4-dien-1-one
MOLECULAR FORMULA: C23H15BrO
MOLECULAR WEIGHT: 387.2686
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)Br)C4=CC=CC=C4
Structure:
CAS RN: 209532-03-6
CAS Name: [2-ethoxy-3-(1-oxohexadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C26H55N2O6P
MOLECULAR WEIGHT: 522.698461
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
Structure:
CAS RN: 210241-67-1
CAS Name: [2-ethoxy-3-(1-oxohexadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-ethoxy-3-(hexadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C26H55N2O6P
MOLECULAR WEIGHT: 522.698461
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
Structure:
CAS RN: 112989-00-1
CAS Name: [2-methoxy-3-(1-oxohexadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [3-(hexadecanoylamino)-2-methoxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [3-(hexadecanoylamino)-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [3-(hexadecanoylamino)-2-methoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C25H53N2O6P
MOLECULAR WEIGHT: 508.671881
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Structure:
CAS RN: 210241-68-2
CAS Name: [2-methoxy-3-(1-oxohexadecylamino)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [3-(hexadecanoylamino)-2-methoxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [3-(hexadecanoylamino)-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [3-(hexadecanoylamino)-2-methoxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C25H53N2O6P
MOLECULAR WEIGHT: 508.671881
SMILES: CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
Structure:
CAS RN: 95422-24-5
CAS Name: 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
IUPAC Name: methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
SYSTEMATIC NAME: methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC1(OCC(O1)CC(=O)OC)C
Structure:
CAS RN: 12088-04-9
CAS Name: (4S)-1,1-dioxodithiane-4,5-diol
OPENEYE Name: (4S)-1,1-dioxodithiane-4,5-diol
IUPAC Name: (4S)-1,1-dioxodithiane-4,5-diol
SYSTEMATIC NAME: (4S)-1,1-bis(oxidanylidene)-1,2-dithiane-4,5-diol
MOLECULAR FORMULA: C4H8O4S2
MOLECULAR WEIGHT: 184.23392
SMILES: C1[C@H](C(CS(=O)(=O)S1)O)O
Structure:
CAS RN: 120586-50-7
CAS Name: (4S)-1,1-dioxodithiane-4,5-diol
OPENEYE Name: (4S)-1,1-dioxodithiane-4,5-diol
IUPAC Name: (4S)-1,1-dioxodithiane-4,5-diol
SYSTEMATIC NAME: (4S)-1,1-bis(oxidanylidene)-1,2-dithiane-4,5-diol
MOLECULAR FORMULA: C4H8O4S2
MOLECULAR WEIGHT: 184.23392
SMILES: C1[C@H](C(CS(=O)(=O)S1)O)O
Structure:
CAS RN: 120586-49-4
CAS Name: (4S,5R)-1,1-dioxodithiane-4,5-diol
OPENEYE Name: (4S,5R)-1,1-dioxodithiane-4,5-diol
IUPAC Name: (4S,5R)-1,1-dioxodithiane-4,5-diol
SYSTEMATIC NAME: (4S,5R)-1,1-bis(oxidanylidene)-1,2-dithiane-4,5-diol
MOLECULAR FORMULA: C4H8O4S2
MOLECULAR WEIGHT: 184.23392
SMILES: C1[C@H]([C@H](CS(=O)(=O)S1)O)O
Structure:
CAS RN: 1208-78-2
CAS Name: (4S,5R)-1,1-dioxodithiane-4,5-diol
OPENEYE Name: (4S,5R)-1,1-dioxodithiane-4,5-diol
IUPAC Name: (4S,5R)-1,1-dioxodithiane-4,5-diol
SYSTEMATIC NAME: (4S,5R)-1,1-bis(oxidanylidene)-1,2-dithiane-4,5-diol
MOLECULAR FORMULA: C4H8O4S2
MOLECULAR WEIGHT: 184.23392
SMILES: C1[C@H]([C@H](CS(=O)(=O)S1)O)O
Structure:
CAS RN: 137363-67-8
CAS Name: 1-(4-chlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
OPENEYE Name: 1-(4-chlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
IUPAC Name: 1-(4-chlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SYSTEMATIC NAME: 1-(4-chlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
MOLECULAR FORMULA: C15H11ClN2S
MOLECULAR WEIGHT: 286.77924
SMILES: C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 1175-41-3
CAS Name: 4-[(3-carboxy-4-hydroxy-1-naphthalenyl)methyl]-1-hydroxy-2-naphthalenecarboxylic acid
OPENEYE Name: 4-[(3-carboxy-4-hydroxy-1-naphthyl)methyl]-1-hydroxy-naphthalene-2-carboxylic acid
IUPAC Name: 4-[(3-carboxy-4-hydroxynaphthalen-1-yl)methyl]-1-hydroxynaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 4-[(3-carboxy-4-oxidanyl-naphthalen-1-yl)methyl]-1-oxidanyl-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C23H16O6
MOLECULAR WEIGHT: 388.36954
SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)CC3=CC(=C(C4=CC=CC=C43)O)C(=O)O
Structure:
CAS RN: 129749-43-5
CAS Name: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid
OPENEYE Name: 5-[bis(3-carboxy-4-hydroxy-5-methyl-phenyl)methyl]-2-hydroxy-3-methyl-benzoic acid
IUPAC Name: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid
SYSTEMATIC NAME: 5-[bis(3-carboxy-5-methyl-4-oxidanyl-phenyl)methyl]-3-methyl-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C25H22O9
MOLECULAR WEIGHT: 466.43678
SMILES: CC1=C(C(=CC(=C1)C(C2=CC(=C(C(=C2)C(=O)O)O)C)C3=CC(=C(C(=C3)C(=O)O)O)C)C(=O)O)O
Structure:
CAS RN: 6884-01-1
CAS Name: 4-methylbenzenesulfonic acid [6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester
OPENEYE Name: [6-methoxy-2-phenyl-7-(p-tolylsulfonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate
IUPAC Name: [6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [6-methoxy-7-(4-methylphenyl)sulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C28H30O10S2
MOLECULAR WEIGHT: 590.6618
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(COC(O3)C4=CC=CC=C4)OC(C2OS(=O)(=O)C5=CC=C(C=C5)C)OC
Structure:
CAS RN: 35082-49-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H26O10
MOLECULAR WEIGHT: 534.51074
SMILES: C[C@@H](CC1=C(C(=C2C(=O)C=C3C4=C5C(=CC(=O)C6=C(C(=C(C(=C56)C1=C42)C[C@H](C)O)OC)O)OCO3)O)OC)O
Structure:
CAS RN: 129655-06-7
CAS Name: 6-[1-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-1-pyrrolidin-1-iumyl]hexanoate
OPENEYE Name: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate
IUPAC Name: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate
SYSTEMATIC NAME: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate
MOLECULAR FORMULA: C39H71N3O6
MOLECULAR WEIGHT: 677.99754
SMILES: CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)[O-])OC2=NC=CC=N2
Structure:
CAS RN: 613-47-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O6
MOLECULAR WEIGHT: 390.47
SMILES: CC1CC2(C(C2(C)C)[C@H]3C1(C4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C
Structure:
CAS RN: 60857-08-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O6
MOLECULAR WEIGHT: 390.47
SMILES: CC1CC2(C(C2(C)C)[C@H]3C1(C4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C
Structure:
CAS RN: 29363-53-9
CAS Name: 2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[(4R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1C(C(OC2=C1C(=CC(=C2[C@@H]3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 29106-49-8
CAS Name: 2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
IUPAC Name: 2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-8-[(4R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
MOLECULAR FORMULA: C30H26O12
MOLECULAR WEIGHT: 578.52024
SMILES: C1C(C(OC2=C1C(=CC(=C2[C@@H]3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
Structure:
CAS RN: 134793-44-5
CAS Name: 2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(1-piperazinylmethyl)-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]acetamide
OPENEYE Name: 2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide
IUPAC Name: 2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[2-[5-oxidanylidene-2,4-bis(piperazin-1-ylmethyl)-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]ethanamide
MOLECULAR FORMULA: C21H27F3N8O2S
MOLECULAR WEIGHT: 512.55169
SMILES: C1CN(CCN1)CN2C(=O)C(=NN(C2=S)CN3CCNCC3)C4=CC=CC=C4NC(=O)C(F)(F)F
Structure:
CAS RN: 113857-87-7
CAS Name: 2-[[[4-carboxy-4-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]butyl]amino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
IUPAC Name: 2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentyl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C27H27N9O6
MOLECULAR WEIGHT: 573.55998
SMILES: C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O
Structure:
CAS RN: 499-02-5
CAS Name: 3-methylenecyclopropane-1,2-dicarboxylic acid
OPENEYE Name: 3-methylenecyclopropane-1,2-dicarboxylic acid
IUPAC Name: 3-methylidenecyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: 3-methylidenecyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C6H6O4
MOLECULAR WEIGHT: 142.10944
SMILES: C=C1C(C1C(=O)O)C(=O)O
Structure:
CAS RN: 133585-56-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H40O12
MOLECULAR WEIGHT: 604.6421
SMILES: CC(=O)O[C@H]1CC2[C@@]([C@H](C1(C)C)C(C(=O)OC)O)(C3CC(C4(C(OC(=O)[C@H]([C@@]4(C3=C)O2)O)C5=COC=C5)C)OC(=O)C)C
Structure:
CAS RN: 133585-55-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H40O11
MOLECULAR WEIGHT: 588.6427
SMILES: CC(=O)O[C@H]1CC2[C@@]([C@H](C1(C)C)CC(=O)OC)(C3CC(C4(C(OC(=O)[C@H]([C@@]4(C3=C)O2)O)C5=COC=C5)C)OC(=O)C)C
Structure:
CAS RN: 128626-48-2
CAS Name: 2-hydroxy-5-[hydroxy-bis(4-hydroxy-3-methoxycarbonylphenyl)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-hydroxy-5-[hydroxy-bis(4-hydroxy-3-methoxycarbonyl-phenyl)methyl]benzoate
IUPAC Name: methyl 2-hydroxy-5-[hydroxy-bis(4-hydroxy-3-methoxycarbonylphenyl)methyl]benzoate
SYSTEMATIC NAME: methyl 5-[bis(3-methoxycarbonyl-4-oxidanyl-phenyl)-oxidanyl-methyl]-2-oxidanyl-benzoate
MOLECULAR FORMULA: C25H22O10
MOLECULAR WEIGHT: 482.43618
SMILES: COC(=O)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)O)C(=O)OC)(C3=CC(=C(C=C3)O)C(=O)OC)O)O
Structure:
CAS RN: 6808-65-7
CAS Name: 2-(1,3-benzodioxol-5-yl)quinoline
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)quinoline
IUPAC Name: 2-(1,3-benzodioxol-5-yl)quinoline
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)quinoline
MOLECULAR FORMULA: C16H11NO2
MOLECULAR WEIGHT: 249.26404
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C=C3
Structure:
CAS RN: 7625-01-6
CAS Name: 3-methyl-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
IUPAC Name: ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
MOLECULAR FORMULA: C12H13NO2S
MOLECULAR WEIGHT: 235.30212
SMILES: CCOC(=O)C1=C(NC2=CC=CC=C2S1)C
Structure:
CAS RN: 112519-52-5
CAS Name: 2-methylsulfonyl-1-benzothiopyran-4-one
OPENEYE Name: 2-methylsulfonylthiochromen-4-one
IUPAC Name: 2-methylsulfonylthiochromen-4-one
SYSTEMATIC NAME: 2-methylsulfonylthiochromen-4-one
MOLECULAR FORMULA: C10H8O3S2
MOLECULAR WEIGHT: 240.29872
SMILES: CS(=O)(=O)C1=CC(=O)C2=CC=CC=C2S1
Structure:
CAS RN: 112519-51-4
CAS Name: 2-methylsulfinyl-1-benzothiopyran-4-one
OPENEYE Name: 2-methylsulfinylthiochromen-4-one
IUPAC Name: 2-methylsulfinylthiochromen-4-one
SYSTEMATIC NAME: 2-methylsulfinylthiochromen-4-one
MOLECULAR FORMULA: C10H8O2S2
MOLECULAR WEIGHT: 224.29932
SMILES: CS(=O)C1=CC(=O)C2=CC=CC=C2S1
Structure:
CAS RN: 69301-27-5
CAS Name: 5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]phenol
OPENEYE Name: 2-[(1R)-1,5-dimethylhex-4-enyl]-5-methyl-phenol
IUPAC Name: 5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]phenol
SYSTEMATIC NAME: 5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]phenol
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: CC1=CC(=C(C=C1)[C@H](C)CCC=C(C)C)O
Structure:
CAS RN: 103344-19-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H11N3OS2
MOLECULAR WEIGHT: 361.44014
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)N=C(S4)C5=CC=CC=C5
Structure:
CAS RN: 105372-70-1
CAS Name: (1S,3S)-5-[[5-(2-amino-2-carboxyethyl)-1-methyl-4-imidazolyl]thio]-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (1S,3S)-5-[5-(2-amino-2-carboxy-ethyl)-1-methyl-imidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC Name: (1S,3S)-5-[5-(2-amino-2-carboxyethyl)-1-methylimidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (1S,3S)-5-[5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1-methyl-imidazol-4-yl]sulfanyl-1-[(4-hydroxyphenyl)methyl]-6,8-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C24H26N4O7S
MOLECULAR WEIGHT: 514.55084
SMILES: CN1C=NC(=C1CC(C(=O)O)N)SC2=C(C=C(C3=C2C[C@H](N[C@H]3CC4=CC=C(C=C4)O)C(=O)O)O)O
Structure:
CAS RN: 42746-87-2
CAS Name: 2-[(dimethylamino)methyl]-1-cyclopentanone hydrochloride
OPENEYE Name: 2-[(dimethylamino)methyl]cyclopentanone hydrochloride
IUPAC Name: 2-[(dimethylamino)methyl]cyclopentan-1-one hydrochloride
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]cyclopentan-1-one hydrochloride
MOLECULAR FORMULA: C8H16ClNO
MOLECULAR WEIGHT: 177.67174
SMILES: CN(C)CC1CCCC1=O.Cl
Structure:
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