CAS RN: 67785-88-0
CAS Name: 1-chloro-2,3,4-tris(2-methylpropyl)-5-phenoxybenzene
OPENEYE Name: 1-chloro-2,3,4-triisobutyl-5-phenoxy-benzene
IUPAC Name: 1-chloro-2,3,4-tris(2-methylpropyl)-5-phenoxybenzene
SYSTEMATIC NAME: 1-chloranyl-2,3,4-tris(2-methylpropyl)-5-phenoxy-benzene
MOLECULAR FORMULA: C24H33ClO
MOLECULAR WEIGHT: 372.97122
SMILES: CC(C)CC1=C(C(=C(C=C1OC2=CC=CC=C2)Cl)CC(C)C)CC(C)C
Structure:
CAS RN: 67785-80-2
CAS Name: octadecanoic acid 3-butoxypropyl ester
OPENEYE Name: 3-butoxypropyl octadecanoate
IUPAC Name: 3-butoxypropyl octadecanoate
SYSTEMATIC NAME: 3-butoxypropyl octadecanoate
MOLECULAR FORMULA: C25H50O3
MOLECULAR WEIGHT: 398.6627
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCOCCCC
Structure:
CAS RN: 67785-46-0
CAS Name: N-(hydroxymethyl)-2-propenamide; 2-methylenebutanedioic acid; 2-methylenebutanoic acid; 2-propenenitrile; 2-propenoic acid butyl ester
OPENEYE Name: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylenebutanedioic acid; 2-methylenebutanoic acid; prop-2-enenitrile
IUPAC Name: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanedioic acid; 2-methylidenebutanoic acid; prop-2-enenitrile
SYSTEMATIC NAME: butyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylidenebutanedioic acid; 2-methylidenebutanoic acid; prop-2-enenitrile
MOLECULAR FORMULA: C24H36N2O10
MOLECULAR WEIGHT: 512.55004
SMILES: CCCCOC(=O)C=C.CCC(=C)C(=O)O.C=CC#N.C=CC(=O)NCO.C=C(CC(=O)O)C(=O)O
Structure:
CAS RN: 67755-06-0
CAS Name: 3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
OPENEYE Name: 3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
IUPAC Name: 3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
SYSTEMATIC NAME: 3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
MOLECULAR FORMULA: C12H11NOS
MOLECULAR WEIGHT: 217.28684
SMILES: C1CN2C(=CC3=CC=CC=C3C2=O)SC1
Structure:
CAS RN: 67728-25-0
CAS Name: N-(2-chloro-4-isothiocyanatophenyl)-1-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: N-(2-chloro-4-isothiocyanato-phenyl)-1-hydroxy-naphthalene-2-carboxamide
IUPAC Name: N-(2-chloro-4-isothiocyanatophenyl)-1-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-(2-chloranyl-4-isothiocyanato-phenyl)-1-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C18H11ClN2O2S
MOLECULAR WEIGHT: 354.81014
SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=C(C=C(C=C3)N=C=S)Cl
Structure:
CAS RN: 67714-46-9
CAS Name: (4R)-3-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-thiazolidinecarboxylic acid
OPENEYE Name: (4R)-3-[(2S)-2-methyl-3-sulfanyl-propanoyl]thiazolidine-4-carboxylic acid
IUPAC Name: (4R)-3-[(2S)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: (4R)-3-[(2S)-2-methyl-3-sulfanyl-propanoyl]-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C8H13NO3S2
MOLECULAR WEIGHT: 235.32372
SMILES: C[C@H](CS)C(=O)N1CSC[C@H]1C(=O)O
Structure:
CAS RN: 67712-04-3
CAS Name: 2-[4-(2-oxiranylmethoxy)butoxymethyl]oxirane; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
IUPAC Name: 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane; prop-2-enoic acid
SYSTEMATIC NAME: 2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane; prop-2-enoic acid
MOLECULAR FORMULA: C13H22O6
MOLECULAR WEIGHT: 274.31018
SMILES: C=CC(=O)O.C1C(O1)COCCCCOCC2CO2
Structure:
CAS RN: 67689-49-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H64CuN16O8S4
MOLECULAR WEIGHT: 1232.97296
SMILES: CN(C)CCCNS(=O)(=O)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=NC(=NC6=C7C=CC(=CC7=C([N-]6)N=C2[N-]3)S(=O)(=O)NCCCN(C)C)C8=C5C=CC=C8S(=O)(=O)NCCCN(C)C)C9=C4C(=CC=C9)S(=O)(=O)NCCCN(C)C.[Cu+2]
Structure:
CAS RN: 67651-37-0
CAS Name: 3-(2,3,4,5-tetrachlorophenyl)phenol
OPENEYE Name: 3-(2,3,4,5-tetrachlorophenyl)phenol
IUPAC Name: 3-(2,3,4,5-tetrachlorophenyl)phenol
SYSTEMATIC NAME: 3-[2,3,4,5-tetrakis(chloranyl)phenyl]phenol
MOLECULAR FORMULA: C12H6Cl4O
MOLECULAR WEIGHT: 307.98744
SMILES: C1=CC(=CC(=C1)O)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 67649-65-4
CAS Name: 2-[[dodecyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]thio]stannyl]thio]acetic acid 6-methylheptyl ester
OPENEYE Name: 6-methylheptyl 2-[dodecyl-bis[[2-(6-methylheptoxy)-2-oxo-ethyl]sulfanyl]stannyl]sulfanylacetate
IUPAC Name: 6-methylheptyl 2-[dodecyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate
SYSTEMATIC NAME: 6-methylheptyl 2-[dodecyl-bis[[2-(6-methylheptoxy)-2-oxidanylidene-ethyl]sulfanyl]stannyl]sulfanylethanoate
MOLECULAR FORMULA: C42H82O6S3Sn
MOLECULAR WEIGHT: 898.00188
SMILES: CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
Structure:
CAS RN: 67633-88-9
CAS Name: ammonium octyl sulfate
OPENEYE Name: ammonium octyl sulfate
IUPAC Name: azanium octyl sulfate
SYSTEMATIC NAME: azanium octyl sulfate
MOLECULAR FORMULA: C8H21NO4S
MOLECULAR WEIGHT: 227.32164
SMILES: CCCCCCCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 67633-87-8
CAS Name: 2-(2-hydroxyethylamino)ethanol; sulfuric acid octyl ester
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; octyl hydrogen sulfate
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; octyl hydrogen sulfate
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; octyl hydrogen sulfate
MOLECULAR FORMULA: C12H29NO6S
MOLECULAR WEIGHT: 315.42676
SMILES: CCCCCCCCOS(=O)(=O)O.C(CO)NCCO
Structure:
CAS RN: 67633-86-7
CAS Name: magnesium octyl sulfate
OPENEYE Name: magnesium octyl sulfate
IUPAC Name: magnesium octyl sulfate
SYSTEMATIC NAME: magnesium octyl sulfate
MOLECULAR FORMULA: C16H34MgO8S2
MOLECULAR WEIGHT: 442.87136
SMILES: CCCCCCCCOS(=O)(=O)[O-].CCCCCCCCOS(=O)(=O)[O-].[Mg+2]
Structure:
CAS RN: 67626-89-5
CAS Name: 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylphenol
OPENEYE Name: 2-(chloromethyl)oxirane; formaldehyde; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; o-cresol
IUPAC Name: 2-(chloromethyl)oxirane; formaldehyde; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylphenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; methanal; 2-methylphenol
MOLECULAR FORMULA: C26H31ClO5
MOLECULAR WEIGHT: 458.97434
SMILES: CC1=CC=CC=C1O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=O.C1C(O1)CCl
Structure:
CAS RN: 67599-39-7
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol
OPENEYE Name: adipic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; isophthalic acid; propane-1,2-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol
MOLECULAR FORMULA: C26H38O15
MOLECULAR WEIGHT: 590.57092
SMILES: CC(CO)O.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 67599-38-6
CAS Name: 3-triethoxysilyl-1-propanamine; trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane
OPENEYE Name: 3-triethoxysilylpropan-1-amine; trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane
IUPAC Name: 3-triethoxysilylpropan-1-amine; trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane
SYSTEMATIC NAME: 3-triethoxysilylpropan-1-amine; trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane
MOLECULAR FORMULA: C20H45NO7Si2
MOLECULAR WEIGHT: 467.7448
SMILES: CCO[Si](CCCN)(OCC)OCC.CO[Si](CCC1CCC2C(C1)O2)(OC)OC
Structure:
CAS RN: 67599-14-8
CAS Name: disodium 2-[(2,5-dichlorophenyl)azo-ethylamino]-5-sulfonatobenzoate
OPENEYE Name: disodium 2-[(2,5-dichlorophenyl)azo-ethyl-amino]-5-sulfonato-benzoate
IUPAC Name: disodium 2-[[(2,5-dichlorophenyl)diazenyl]-ethylamino]-5-sulfonatobenzoate
SYSTEMATIC NAME: disodium 2-[[[2,5-bis(chloranyl)phenyl]diazenyl]-ethyl-amino]-5-sulfonato-benzoate
MOLECULAR FORMULA: C15H11Cl2N3Na2O5S
MOLECULAR WEIGHT: 462.21548
SMILES: CCN(C1=C(C=C(C=C1)S(=O)(=O)[O-])C(=O)[O-])N=NC2=C(C=CC(=C2)Cl)Cl.[Na+].[Na+]
Structure:
CAS RN: 67508-92-3
CAS Name: [[[3,4-dihydroxy-5-(2-oxido-4-oxo-1-pyrimidinyl)-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate; hydron; mercury(1+)
OPENEYE Name: mercurous; [[[3,4-dihydroxy-5-(2-oxido-4-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate; hydron
IUPAC Name: [[[3,4-dihydroxy-5-(2-oxido-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate; hydron; mercury(1+)
SYSTEMATIC NAME: hydron; mercury(1+); [oxidanidyl-[oxidanidyl-[[5-(2-oxidanidyl-4-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphoryl]oxy-phosphoryl] phosphate
MOLECULAR FORMULA: C9H14HgN2O15P3
MOLECULAR WEIGHT: 683.723143
SMILES: [H+].[H+].[H+].[H+].C1=CN(C(=NC1=O)[O-])C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Hg+]
Structure:
CAS RN: 67494-32-0
CAS Name: 2-[3-[[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1,
OPENEYE Name: 2-[3-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-
IUPAC Name: 2-[3-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxo
SYSTEMATIC NAME: 2-[3-[[(2S)-1-[(2R)-2-[[(2S)-4-azanyl-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentan
MOLECULAR FORMULA: C50H70N14O15S2
MOLECULAR WEIGHT: 1171.3056
SMILES: CN(CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C=S)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CN)CC(=O)O
Structure:
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