CAS RN: 53361-24-3
CAS Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole hydrochloride
OPENEYE Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole hydrochloride
IUPAC Name: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole hydrochloride
SYSTEMATIC NAME: 5-phenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole hydrochloride
MOLECULAR FORMULA: C11H14ClN3
MOLECULAR WEIGHT: 223.70196
SMILES: C1CN2C(CN=C2N1)C3=CC=CC=C3.Cl
Structure:
CAS RN: 1682-26-4
CAS Name: [(2S)-1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethyl-phosphonooxyphosphinic acid
OPENEYE Name: [(1S)-1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-phosphonooxy-phosphinic acid
IUPAC Name: [(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-phosphonooxyphosphinic acid
SYSTEMATIC NAME: [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid
MOLECULAR FORMULA: C8H15N3O9P2
MOLECULAR WEIGHT: 359.166922
SMILES: C1=CN(C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 56689-44-2
CAS Name: 6-(3-nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole hydrochloride
OPENEYE Name: 6-(3-nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole hydrochloride
IUPAC Name: 6-(3-nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride
SYSTEMATIC NAME: 6-(3-nitrophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride
MOLECULAR FORMULA: C11H12ClN3O2S
MOLECULAR WEIGHT: 285.74988
SMILES: C1CSC2=NC(CN21)C3=CC(=CC=C3)[N+](=O)[O-].Cl
Structure:
CAS RN: 57666-60-1
CAS Name: 5-(2-nitrophenyl)-2-furancarboximidamide
OPENEYE Name: 5-(2-nitrophenyl)furan-2-carboxamidine
IUPAC Name: 5-(2-nitrophenyl)furan-2-carboximidamide
SYSTEMATIC NAME: 5-(2-nitrophenyl)furan-2-carboximidamide
MOLECULAR FORMULA: C11H9N3O3
MOLECULAR WEIGHT: 231.20746
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C(=N)N)[N+](=O)[O-]
Structure:
CAS RN: 88036-80-0
CAS Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid
OPENEYE Name: 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid
IUPAC Name: 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid
SYSTEMATIC NAME: 6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid
MOLECULAR FORMULA: C17H23FN4O6S
MOLECULAR WEIGHT: 430.451123
SMILES: CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 180918-68-7
CAS Name: N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
OPENEYE Name: N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methyl-heptyl)amino]-1-hydroxy-butyl]phenyl]methanesulfonamide
IUPAC Name: N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[(1S)-4-[ethyl-(6-fluoranyl-6-methyl-heptyl)amino]-1-oxidanyl-butyl]phenyl]methanesulfonamide
MOLECULAR FORMULA: C21H37FN2O3S
MOLECULAR WEIGHT: 416.593483
SMILES: CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O
Structure:
CAS RN: 191150-83-1
CAS Name: disodium (2R)-4-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylazanidyl]phenyl]propyl]-3H-pyran-6-olate
OPENEYE Name: disodium (2R)-4-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[[5-(trifluoromethyl)-2-pyridyl]sulfonylazanidyl]phenyl]propyl]-3H-pyran-6-olate
IUPAC Name: disodium (2R)-4-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfonylazanidylphenyl]propyl]-3H-pyran-6-olate
SYSTEMATIC NAME: disodium (2R)-4-oxidanylidene-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-[5-(trifluoromethyl)pyridin-2-yl]sulfonylazanidylphenyl]propyl]-3H-pyran-6-olate
MOLECULAR FORMULA: C31H31F3N2Na2O5S
MOLECULAR WEIGHT: 646.62799
SMILES: CCC[C@]1(CC(=O)C(=C(O1)[O-])[C@H](CC)C2=CC(=CC=C2)[N-]S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4.[Na+].[Na+]
Structure:
CAS RN: 80433-86-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: CCC[C@@H]1C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O
Structure:
CAS RN: 68928-41-6
CAS Name: hexadecanoic acid 2-[[methyl-bis[2-(1-oxohexadecoxy)ethylthio]stannyl]thio]ethyl ester
OPENEYE Name: 2-[bis(2-hexadecanoyloxyethylsulfanyl)-methyl-stannyl]sulfanylethyl hexadecanoate
IUPAC Name: 2-[bis(2-hexadecanoyloxyethylsulfanyl)-methylstannyl]sulfanylethyl hexadecanoate
SYSTEMATIC NAME: 2-[bis(2-hexadecanoyloxyethylsulfanyl)-methyl-stannyl]sulfanylethyl hexadecanoate
MOLECULAR FORMULA: C55H108O6S3Sn
MOLECULAR WEIGHT: 1080.34742
SMILES: CCCCCCCCCCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 68909-76-2
CAS Name: ammonia; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: ammonia; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: azane; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: azane; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C4H13NO3
MOLECULAR WEIGHT: 123.15092
SMILES: C(COCCO)O.N
Structure:
CAS RN: 80387-97-9
CAS Name: 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
OPENEYE Name: 7-isopropyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene
IUPAC Name: 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
SYSTEMATIC NAME: 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
MOLECULAR FORMULA: C15H26
MOLECULAR WEIGHT: 206.36694
SMILES: CC1CCC(CC2=C1CCC2C)C(C)C
Structure:
CAS RN: 68892-31-9
CAS Name: trisodium 2-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthalenyl]azo]-2,5-dimethylphenyl]azobenzene-1,4-disulfonate
OPENEYE Name: trisodium 2-[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonato-1-naphthyl]azo]-2,5-dimethyl-phenyl]azobenzene-1,4-disulfonate
IUPAC Name: trisodium 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate
SYSTEMATIC NAME: trisodium 2-[[4-[[4-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-5-sulfonato-naphthalen-1-yl]diazenyl]-2,5-dimethyl-phenyl]diazenyl]benzene-1,4-disulfonate
MOLECULAR FORMULA: C27H17Cl2N8Na3O9S3
MOLECULAR WEIGHT: 833.54239
SMILES: CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 8030-54-4
CAS Name: 2-(2-hydroxyethylamino)ethanol; 9-oxononanoic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; 9-oxononanoic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; 9-oxononanoic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; 9-oxidanylidenenonanoic acid
MOLECULAR FORMULA: C13H27NO5
MOLECULAR WEIGHT: 277.35718
SMILES: C(CCCC=O)CCCC(=O)O.C(CO)NCCO
Structure:
CAS RN: 515-03-7
CAS Name: (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
OPENEYE Name: (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol
IUPAC Name: (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SYSTEMATIC NAME: (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
MOLECULAR FORMULA: C20H36O2
MOLECULAR WEIGHT: 308.49864
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C
Structure:
CAS RN: 68649-44-5
CAS Name: 2-aminoethanol; ammonia
OPENEYE Name: 2-aminoethanol; ammonia
IUPAC Name: 2-aminoethanol; azane
SYSTEMATIC NAME: azane; 2-azanylethanol
MOLECULAR FORMULA: C2H10N2O
MOLECULAR WEIGHT: 78.1136
SMILES: C(CO)N.N
Structure:
CAS RN: 80460-02-2
CAS Name: 2-aminoethanol; ammonia
OPENEYE Name: 2-aminoethanol; ammonia
IUPAC Name: 2-aminoethanol; azane
SYSTEMATIC NAME: azane; 2-azanylethanol
MOLECULAR FORMULA: C2H10N2O
MOLECULAR WEIGHT: 78.1136
SMILES: C(CO)N.N
Structure:
CAS RN: 80040-98-8
CAS Name: 2-propyn-1-ol; 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-pentanone
OPENEYE Name: prop-2-yn-1-ol; 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
IUPAC Name: prop-2-yn-1-ol; 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
SYSTEMATIC NAME: prop-2-yn-1-ol; 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pentan-3-one
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CCC(=O)CCC1C(=CCCC1(C)C)C.C#CCO
Structure:
CAS RN: 68130-78-9
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C19H29N3O2
MOLECULAR WEIGHT: 331.45246
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C(CNCCN)N
Structure:
CAS RN: 68556-27-4
CAS Name: sodium; chromium(3+); 1-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-2-naphthalenone; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate
OPENEYE Name: chromic; sodium; 1-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]naphthalen-2-one; hydron; 7-nitro-3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate
IUPAC Name: sodium; chromium(3+); 1-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; hydron; 7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
SYSTEMATIC NAME: sodium; 1-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one; chromium(3+); hydron; 7-nitro-3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
MOLECULAR FORMULA: C36H20CrN6NaO11S
MOLECULAR WEIGHT: 819.62847
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=CC3=O)N([O-])[O-].[Na+].[Cr+3]
Structure:
CAS RN: 68479-95-8
CAS Name: sodium; chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthalenylidene)hydrazinylidene]-1-naphthalenesulfonate; hydron; 5-methyl-4-(5-nitro-2-oxidophenyl)azo-2-phenyl-3-pyrazololate
OPENEYE Name: chromic; sodium; 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthylidene)hydrazono]naphthalene-1-sulfonate; hydron; 5-methyl-4-(5-nitro-2-oxido-phenyl)azo-2-phenyl-pyrazol-3-olate
IUPAC Name: sodium; chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; hydron; 5-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
SYSTEMATIC NAME: sodium; 7-[bis(oxidanidyl)amino]-3-oxidanylidene-4-[(2-oxidanylidenenaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; chromium(3+); hydron; 5-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-2-phenyl-pyrazol-3-olate
MOLECULAR FORMULA: C36H22CrN8NaO11S
MOLECULAR WEIGHT: 849.65775
SMILES: [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C4=C(C=C(C=C4)N([O-])[O-])C(=CC3=O)S(=O)(=O)[O-].[Na+].[Cr+3]
Structure:
CAS RN: 68479-94-7
CAS Name: sodium; chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthalenylidene)hydrazinylidene]-1-naphthalenesulfonate; hydron; 1-(4-nitro-2-oxidophenyl)azo-2-naphthalenolate
OPENEYE Name: chromic; sodium; 7-(dioxidoamino)-3-oxo-4-[(2-oxo-1-naphthylidene)hydrazono]naphthalene-1-sulfonate; hydron; 1-(4-nitro-2-oxido-phenyl)azonaphthalen-2-olate
IUPAC Name: sodium; chromium(3+); 7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; hydron; 1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SYSTEMATIC NAME: sodium; 7-[bis(oxidanidyl)amino]-3-oxidanylidene-4-[(2-oxidanylidenenaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate; chromium(3+); hydron; 1-[(4-nitro-2-oxidanidyl-phenyl)diazenyl]naphthalen-2-olate
MOLECULAR FORMULA: C36H20CrN6NaO11S
MOLECULAR WEIGHT: 819.62847
SMILES: [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C4=C(C=C(C=C4)N([O-])[O-])C(=CC3=O)S(=O)(=O)[O-].[Na+].[Cr+3]
Structure:
CAS RN: 68411-71-2
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C25H37N3O4
MOLECULAR WEIGHT: 443.57898
SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C(CNCCN)N
Structure:
CAS RN: 68515-86-6
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-[[4-[2-[4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-[[4-[1-methyl-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C25H37N3O4
MOLECULAR WEIGHT: 443.57898
SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4.C(CNCCN)N
Structure:
CAS RN: 121617-08-1
CAS Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
OPENEYE Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C12H21NO6S
MOLECULAR WEIGHT: 307.36324
SMILES: C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 57592-59-3
CAS Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
OPENEYE Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C12H21NO6S
MOLECULAR WEIGHT: 307.36324
SMILES: C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 68411-31-4
CAS Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
OPENEYE Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
IUPAC Name: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: benzenesulfonic acid; 2-[bis(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C12H21NO6S
MOLECULAR WEIGHT: 307.36324
SMILES: C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 68411-20-1
CAS Name: aniline; butanal
OPENEYE Name: aniline; butanal
IUPAC Name: aniline; butanal
SYSTEMATIC NAME: aniline; butanal
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCCC=O.C1=CC=C(C=C1)N
Structure:
CAS RN: 68410-08-2
CAS Name: 2-butyne-1,4-diol; 2-(chloromethyl)oxirane
OPENEYE Name: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
IUPAC Name: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
SYSTEMATIC NAME: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
MOLECULAR FORMULA: C7H11ClO3
MOLECULAR WEIGHT: 178.61344
SMILES: C1C(O1)CCl.C(C#CCO)O
Structure:
CAS RN: 68411-16-5
CAS Name: 2-butyne-1,4-diol; 2-(chloromethyl)oxirane
OPENEYE Name: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
IUPAC Name: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
SYSTEMATIC NAME: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
MOLECULAR FORMULA: C7H11ClO3
MOLECULAR WEIGHT: 178.61344
SMILES: C1C(O1)CCl.C(C#CCO)O
Structure:
CAS RN: 68441-62-3
CAS Name: 2-butyne-1,4-diol; 2-(chloromethyl)oxirane
OPENEYE Name: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
IUPAC Name: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
SYSTEMATIC NAME: but-2-yne-1,4-diol; 2-(chloromethyl)oxirane
MOLECULAR FORMULA: C7H11ClO3
MOLECULAR WEIGHT: 178.61344
SMILES: C1C(O1)CCl.C(C#CCO)O
Structure:
CAS RN: 813-72-9
CAS Name: 2,2-dimethylhexanoic acid
OPENEYE Name: 2,2-dimethylhexanoic acid
IUPAC Name: 2,2-dimethylhexanoic acid
SYSTEMATIC NAME: 2,2-dimethylhexanoic acid
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCCC(C)(C)C(=O)O
Structure:
CAS RN: 68258-64-0
CAS Name: 1-amino-2-propanol; benzoic acid
OPENEYE Name: 1-aminopropan-2-ol; benzoic acid
IUPAC Name: 1-aminopropan-2-ol; benzoic acid
SYSTEMATIC NAME: 1-azanylpropan-2-ol; benzoic acid
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CC(CN)O.C1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 68187-55-3
CAS Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
MOLECULAR FORMULA: C4H13NO6S
MOLECULAR WEIGHT: 203.21412
SMILES: C(CO)NCCO.OS(=O)(=O)O
Structure:
CAS RN: 68585-44-4
CAS Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; sulfuric acid
MOLECULAR FORMULA: C4H13NO6S
MOLECULAR WEIGHT: 203.21412
SMILES: C(CO)NCCO.OS(=O)(=O)O
Structure:
CAS RN: 68155-78-2
CAS Name: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
OPENEYE Name: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
IUPAC Name: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
SYSTEMATIC NAME: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
MOLECULAR FORMULA: C9H28N3Na7O15P5+7
MOLECULAR WEIGHT: 734.126915
SMILES: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 916420-28-5
CAS Name: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
OPENEYE Name: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
IUPAC Name: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
SYSTEMATIC NAME: heptasodium [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
MOLECULAR FORMULA: C9H28N3Na7O15P5+7
MOLECULAR WEIGHT: 734.126915
SMILES: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 68130-50-7
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
MOLECULAR FORMULA: C15H31NO7
MOLECULAR WEIGHT: 337.40914
SMILES: C(CCCC(=O)O)CCCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 68130-88-1
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
MOLECULAR FORMULA: C15H31NO7
MOLECULAR WEIGHT: 337.40914
SMILES: C(CCCC(=O)O)CCCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 68833-70-5
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; nonanedioic acid
MOLECULAR FORMULA: C15H31NO7
MOLECULAR WEIGHT: 337.40914
SMILES: C(CCCC(=O)O)CCCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 115470-91-2
CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid; octadecanoic acid
OPENEYE Name: adipic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; stearic acid
IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid; octadecanoic acid
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid; octadecanoic acid
MOLECULAR FORMULA: C29H58O10
MOLECULAR WEIGHT: 566.76482
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O
Structure:
CAS RN: 31672-56-7
CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid; octadecanoic acid
OPENEYE Name: adipic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; stearic acid
IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid; octadecanoic acid
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid; octadecanoic acid
MOLECULAR FORMULA: C29H58O10
MOLECULAR WEIGHT: 566.76482
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O
Structure:
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