CAS RN: 83898-54-8
CAS Name: (E)-2-butenedioic acid O4-[bis[(E)-4-decoxy-1,4-dioxobut-2-enoxy]-octylstannyl] ester O1-decyl ester
OPENEYE Name: O4-[bis[[(E)-4-decoxy-4-oxo-but-2-enoyl]oxy]-octyl-stannyl] O1-decyl (E)-but-2-enedioate
IUPAC Name: 4-O-[bis[[(E)-4-decoxy-4-oxobut-2-enoyl]oxy]-octylstannyl] 1-O-decyl (E)-but-2-enedioate
SYSTEMATIC NAME: O4-[bis[[(E)-4-decoxy-4-oxidanylidene-but-2-enoyl]oxy]-octyl-stannyl] O1-decyl (E)-but-2-enedioate
MOLECULAR FORMULA: C50H86O12Sn
MOLECULAR WEIGHT: 997.92064
SMILES: CCCCCCCCCCOC(=O)/C=C/C(=O)O[Sn](OC(=O)/C=C/C(=O)OCCCCCCCCCC)(OC(=O)/C=C/C(=O)OCCCCCCCCCC)CCCCCCCC
CAS RN: 84029-72-1
CAS Name: (Z)-2-butenedioic acid O4-[[(Z)-4-dodecoxy-1,4-dioxobut-2-enoxy]-didodecylstannyl] ester O1-dodecyl ester
OPENEYE Name: O4-[[(Z)-4-dodecoxy-4-oxo-but-2-enoyl]oxy-didodecyl-stannyl] O1-dodecyl (Z)-but-2-enedioate
IUPAC Name: 4-O-[[(Z)-4-dodecoxy-4-oxobut-2-enoyl]oxy-didodecylstannyl] 1-O-dodecyl (Z)-but-2-enedioate
SYSTEMATIC NAME: O4-[[(Z)-4-dodecoxy-4-oxidanylidene-but-2-enoyl]oxy-didodecyl-stannyl] O1-dodecyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C56H104O8Sn
MOLECULAR WEIGHT: 1024.13016
SMILES: CCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
CAS RN: 71156-07-5
CAS Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid
OPENEYE Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid
IUPAC Name: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid
SYSTEMATIC NAME: butane-1,4-diol; hexane-1,6-diol; nonanedioic acid
MOLECULAR FORMULA: C19H40O8
MOLECULAR WEIGHT: 396.5161
SMILES: C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO.C(CCO)CO
CAS RN: 93839-55-5
CAS Name: 4-chloro-2-cyclohexylphenolate; methyl(triphenyl)phosphonium
OPENEYE Name: 4-chloro-2-cyclohexyl-phenolate; methyl(triphenyl)phosphonium
IUPAC Name: 4-chloro-2-cyclohexylphenolate; methyl(triphenyl)phosphanium
SYSTEMATIC NAME: 4-chloranyl-2-cyclohexyl-phenolate; methyl(triphenyl)phosphanium
MOLECULAR FORMULA: C31H32ClOP
MOLECULAR WEIGHT: 487.011941
SMILES: C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(CC1)C2=C(C=CC(=C2)Cl)[O-]
CAS RN: 85029-93-2
CAS Name: 4-aminobenzenesulfonamide; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
OPENEYE Name: 4-aminobenzenesulfonamide; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonic acid
IUPAC Name: 4-aminobenzenesulfonamide; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
SYSTEMATIC NAME: 4-azanylbenzenesulfonamide; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
MOLECULAR FORMULA: C16H24N2O6S2
MOLECULAR WEIGHT: 404.50156
SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.C1=CC(=CC=C1N)S(=O)(=O)N
CAS RN: 94232-68-5
CAS Name: (2R)-2-[[(4-nitrophenyl)-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl (2R)-2-[(4-nitrobenzoyl)amino]pentanedioate
IUPAC Name: diethyl (2R)-2-[(4-nitrobenzoyl)amino]pentanedioate
SYSTEMATIC NAME: diethyl (2R)-2-[(4-nitrophenyl)carbonylamino]pentanedioate
MOLECULAR FORMULA: C16H20N2O7
MOLECULAR WEIGHT: 352.3392
SMILES: CCOC(=O)CC[C@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
CAS RN: 94030-96-3
CAS Name: 2-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C25H20FN3O2
MOLECULAR WEIGHT: 413.443603
SMILES: CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CN4C(=O)C5=CC=CC=C5C4=O
CAS RN: 84041-73-6
CAS Name: 4-(2-chloro-4-nitrophenyl)azo-N-ethyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline; hydrogen sulfate
OPENEYE Name: 4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; hydrogen sulfate
IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; hydrogen sulfate
SYSTEMATIC NAME: 4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline; hydrogen sulfate
MOLECULAR FORMULA: C21H22ClN5O6S
MOLECULAR WEIGHT: 507.94728
SMILES: CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.OS(=O)(=O)[O-]
CAS RN: 121372-49-4
CAS Name: 2-diazonio-5-[[1-(1-naphthalenylmethyl)-2-naphthalenyl]oxysulfonyl]-1-naphthalenolate
OPENEYE Name: 2-diazonio-5-[[1-(1-naphthylmethyl)-2-naphthyl]oxysulfonyl]naphthalen-1-olate
IUPAC Name: 2-diazonio-5-[1-(naphthalen-1-ylmethyl)naphthalen-2-yl]oxysulfonylnaphthalen-1-olate
SYSTEMATIC NAME: 2-diazonio-5-[1-(naphthalen-1-ylmethyl)naphthalen-2-yl]oxysulfonyl-naphthalen-1-olate
MOLECULAR FORMULA: C31H20N2O4S
MOLECULAR WEIGHT: 516.5665
SMILES: C1=CC=C2C(=C1)C=CC=C2CC3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N
CAS RN: 94237-04-4
CAS Name: 2-(2-hydroxyethylamino)ethanol; (E)-3-phenyl-2-propenoic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; (E)-3-phenylprop-2-enoic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; (E)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; (E)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C13H19NO4
MOLECULAR WEIGHT: 253.29426
SMILES: C1=CC=C(C=C1)/C=C/C(=O)O.C(CO)NCCO
CAS RN: 380886-95-3
CAS Name: (2S)-2-amino-3-methylbutanoic acid [(2S,3R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] ester
OPENEYE Name: [(2S,3R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] (2S)-2-amino-3-methyl-butanoate
IUPAC Name: [(2S,3R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate
SYSTEMATIC NAME: [(2S,3R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-azanyl-3-methyl-butanoate
MOLECULAR FORMULA: C14H22N4O5
MOLECULAR WEIGHT: 326.34828
SMILES: CC(C)[C@@H](C(=O)O[C@@H]1CC(O[C@H]1CO)N2C=CC(=NC2=O)N)N
CAS RN: 57158-30-2
CAS Name: triammonium phosphoric acid borate
OPENEYE Name: triammonium phosphoric acid borate
IUPAC Name: triazanium phosphoric acid borate
SYSTEMATIC NAME: triazanium phosphoric acid borate
MOLECULAR FORMULA: BH15N3O7P
MOLECULAR WEIGHT: 210.919761
SMILES: B([O-])([O-])[O-].[NH4+].[NH4+].[NH4+].OP(=O)(O)O
CAS RN: 167078-17-3
CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-methyl-2-propenoic acid octadecyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; 2-amino-2-(hydroxymethyl)propane-1,3-diol; octadecyl 2-methylprop-2-enoate
IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C29H57NO7
MOLECULAR WEIGHT: 531.76538
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.C=CC(=O)O.C(C(CO)(CO)N)O
CAS RN: 84030-43-3
CAS Name: 2-[[bis[(2-decoxy-2-oxoethyl)thio]-dodecylstannyl]thio]acetic acid decyl ester
OPENEYE Name: decyl 2-[bis[(2-decoxy-2-oxo-ethyl)sulfanyl]-dodecyl-stannyl]sulfanylacetate
IUPAC Name: decyl 2-[bis[(2-decoxy-2-oxoethyl)sulfanyl]-dodecylstannyl]sulfanylacetate
SYSTEMATIC NAME: decyl 2-[bis[(2-decoxy-2-oxidanylidene-ethyl)sulfanyl]-dodecyl-stannyl]sulfanylethanoate
MOLECULAR FORMULA: C48H94O6S3Sn
MOLECULAR WEIGHT: 982.16136
SMILES: CCCCCCCCCCCC[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)SCC(=O)OCCCCCCCCCC
CAS RN: 94043-07-9
CAS Name: 10-undecenoic acid [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(1-oxoundec-10-enoxy)ethyl]-4-(1-oxoundec-10-enoxy)-3-oxolanyl] ester
OPENEYE Name: [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-undec-10-enoyloxy-ethyl]-4-undec-10-enoyloxy-tetrahydrofuran-3-yl] undec-10-enoate
IUPAC Name: [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-undec-10-enoyloxyethyl]-4-undec-10-enoyloxyoxolan-3-yl] undec-10-enoate
SYSTEMATIC NAME: [(3S,4R,5R)-5-[(1R)-2-oxidanyl-1-undec-10-enoyloxy-ethyl]-4-undec-10-enoyloxy-oxolan-3-yl] undec-10-enoate
MOLECULAR FORMULA: C39H66O8
MOLECULAR WEIGHT: 662.93654
SMILES: C=CCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCC=C)[C@@H](CO)OC(=O)CCCCCCCCC=C
CAS RN: 79373-34-5
CAS Name: diammonium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)-1-anthracenyl]amino]-2,4,6-trimethylbenzenesulfonate
OPENEYE Name: diammonium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonato-anilino)-1-anthryl]amino]-2,4,6-trimethyl-benzenesulfonate
IUPAC Name: diazanium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate
SYSTEMATIC NAME: diazanium 3-[[9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfonato-phenyl)amino]anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonate
MOLECULAR FORMULA: C32H36N4O8S2
MOLECULAR WEIGHT: 668.78024
SMILES: CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[NH4+].[NH4+]
CAS RN: 94086-95-0
CAS Name: ethyl-dimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)propyl]ammonium; hydrogen sulfate
OPENEYE Name: ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)propyl]ammonium; hydrogen sulfate
IUPAC Name: ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)propyl]azanium; hydrogen sulfate
SYSTEMATIC NAME: ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)propyl]azanium; hydrogen sulfate
MOLECULAR FORMULA: C11H23NO6S
MOLECULAR WEIGHT: 297.36842
SMILES: CC[N+](C)(C)CC(C)OC(=O)C(=C)C.OS(=O)(=O)[O-]
CAS RN: 71463-47-3
CAS Name: N-(6,6-dichlorohexyl)-1,3-benzothiazole-2-sulfenamide
OPENEYE Name: N-(1,3-benzothiazol-2-ylsulfanyl)-6,6-dichloro-hexan-1-amine
IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)-6,6-dichlorohexan-1-amine
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-ylsulfanyl)-6,6-bis(chloranyl)hexan-1-amine
MOLECULAR FORMULA: C13H16Cl2N2S2
MOLECULAR WEIGHT: 335.31554
SMILES: C1=CC=C2C(=C1)N=C(S2)SNCCCCCC(Cl)Cl
CAS RN: 84000-74-8
CAS Name: 2-tert-butyl-4,6-dinitrophenol; methanamine
OPENEYE Name: 2-tert-butyl-4,6-dinitro-phenol; methanamine
IUPAC Name: 2-tert-butyl-4,6-dinitrophenol; methanamine
SYSTEMATIC NAME: 2-tert-butyl-4,6-dinitro-phenol; methanamine
MOLECULAR FORMULA: C11H17N3O5
MOLECULAR WEIGHT: 271.26978
SMILES: CC(C)(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CN
CAS RN: 95649-00-6
CAS Name: tetrapotassium [[2-butoxyethoxy(oxido)phosphoryl]oxy-oxidophosphoryl] phosphate
OPENEYE Name: tetrapotassium [[2-butoxyethoxy(oxido)phosphoryl]oxy-oxido-phosphoryl] phosphate
IUPAC Name: tetrapotassium [[2-butoxyethoxy(oxido)phosphoryl]oxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: tetrapotassium [[2-butoxyethoxy(oxidanidyl)phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C6H13K4O11P3
MOLECULAR WEIGHT: 510.475303
SMILES: CCCCOCCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
CAS RN: 72066-74-1
CAS Name: formaldehyde; 2-methoxy-5-methylaniline; hydrochloride
OPENEYE Name: formaldehyde; 2-methoxy-5-methyl-aniline; hydrochloride
IUPAC Name: formaldehyde; 2-methoxy-5-methylaniline; hydrochloride
SYSTEMATIC NAME: methanal; 2-methoxy-5-methyl-aniline; hydrochloride
MOLECULAR FORMULA: C9H14ClNO2
MOLECULAR WEIGHT: 203.66596
SMILES: CC1=CC(=C(C=C1)OC)N.C=O.Cl
CAS RN: 125302-03-6
CAS Name: lithium; 1-tert-butyl-4-ethenylbenzene; 2-methyl-2-propenoate
OPENEYE Name: lithium; 1-tert-butyl-4-vinyl-benzene; 2-methylprop-2-enoate
IUPAC Name: lithium; 1-tert-butyl-4-ethenylbenzene; 2-methylprop-2-enoate
SYSTEMATIC NAME: lithium; 1-tert-butyl-4-ethenyl-benzene; 2-methylprop-2-enoate
MOLECULAR FORMULA: C16H21LiO2
MOLECULAR WEIGHT: 252.27774
SMILES: [Li+].CC(=C)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C=C
CAS RN: 94236-95-0
CAS Name: 4-hexadecoxy-4-oxo-2-sulfobutanoic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 4-hexadecoxy-4-oxo-2-sulfo-butanoic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 4-hexadecoxy-4-oxo-2-sulfobutanoic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 4-hexadecoxy-4-oxidanylidene-2-sulfo-butanoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C28H60N2O11S
MOLECULAR WEIGHT: 632.8478
SMILES: CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO
CAS RN: 74398-74-6
CAS Name: sodium (3E)-6-amino-3-[[2-[ethyl(phenyl)sulfamoyl]phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: sodium (3E)-6-amino-3-[[2-[ethyl(phenyl)sulfamoyl]phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: sodium (3E)-6-amino-3-[[2-[ethyl(phenyl)sulfamoyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium (3E)-6-azanyl-3-[[2-[ethyl(phenyl)sulfamoyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C24H21N4NaO6S2
MOLECULAR WEIGHT: 548.56651
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2N/N=C\3/C(=CC4=C(C3=O)C=C(C=C4)N)S(=O)(=O)[O-].[Na+]
CAS RN: 97158-42-4
CAS Name: europium(2+); hexafluorosilicon(2-)
OPENEYE Name: europium(2+); hexafluorosilicon(2-)
IUPAC Name: europium(2+); hexafluorosilicon(2-)
SYSTEMATIC NAME: europium(2+); hexakis(fluoranyl)silicon(2-)
MOLECULAR FORMULA: EuF6Si
MOLECULAR WEIGHT: 294.039919
SMILES: F[Si-2](F)(F)(F)(F)F.[Eu+2]
CAS RN: 94139-26-1
CAS Name: 2-(dimethylamino)ethanol; 2-dodecylbenzenesulfonic acid
OPENEYE Name: 2-(dimethylamino)ethanol; 2-dodecylbenzenesulfonic acid
IUPAC Name: 2-(dimethylamino)ethanol; 2-dodecylbenzenesulfonic acid
SYSTEMATIC NAME: 2-(dimethylamino)ethanol; 2-dodecylbenzenesulfonic acid
MOLECULAR FORMULA: C22H41NO4S
MOLECULAR WEIGHT: 415.63024
SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CN(C)CCO
CAS RN: 12221-63-5
CAS Name: 3-[(2Z)-2-[(E)-[1-methyl-2-(4-methylphenyl)-3-indol-1-iumylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]propanamide chloride
OPENEYE Name: 3-[(2Z)-2-[(E)-[1-methyl-2-(p-tolyl)indol-1-ium-3-ylidene]hydrazono]-1,3-benzothiazol-3-yl]propanamide chloride
IUPAC Name: 3-[(2Z)-2-[(E)-[1-methyl-2-(4-methylphenyl)indol-1-ium-3-ylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]propanamide chloride
SYSTEMATIC NAME: 3-[(2Z)-2-[(E)-[1-methyl-2-(4-methylphenyl)indol-1-ium-3-ylidene]hydrazinylidene]-1,3-benzothiazol-3-yl]propanamide chloride
MOLECULAR FORMULA: C26H24ClN5OS
MOLECULAR WEIGHT: 490.01966
SMILES: CC1=CC=C(C=C1)C\2=[N+](C3=CC=CC=C3/C2=N\N=C/4\N(C5=CC=CC=C5S4)CCC(=O)N)C.[Cl-]
CAS RN: 12003-61-1
CAS Name: aluminum; holmium(3+); oxygen(2-)
OPENEYE Name: aluminum; holmium(3+); oxygen(2-)
IUPAC Name: aluminum; holmium(3+); oxygen(2-)
SYSTEMATIC NAME: aluminum; holmium(3+); oxygen(2-)
MOLECULAR FORMULA: AlHoO3
MOLECULAR WEIGHT: 239.910058
SMILES: [O-2].[O-2].[O-2].[Al+3].[Ho+3]
CAS RN: 93882-27-0
CAS Name: 2-aminoethanol; (E)-2-undecenoic acid
OPENEYE Name: 2-aminoethanol; (E)-undec-2-enoic acid
IUPAC Name: 2-aminoethanol; (E)-undec-2-enoic acid
SYSTEMATIC NAME: 2-azanylethanol; (E)-undec-2-enoic acid
MOLECULAR FORMULA: C13H27NO3
MOLECULAR WEIGHT: 245.35838
SMILES: CCCCCCCC/C=C/C(=O)O.C(CO)N
CAS RN: 17415-51-9
CAS Name: 2-pyrrolidinone; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
OPENEYE Name: pyrrolidin-2-one; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
IUPAC Name: pyrrolidin-2-one; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
SYSTEMATIC NAME: pyrrolidin-2-one; 1,3,5,7-tetranitro-1,3,5,7-tetrazocane
MOLECULAR FORMULA: C8H15N9O9
MOLECULAR WEIGHT: 381.2596
SMILES: C1CC(=O)NC1.C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
CAS RN: 70581-71-4
CAS Name: copper; 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanoate; 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoate
OPENEYE Name: copper; 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoate; 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate
IUPAC Name: copper; 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate; 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
SYSTEMATIC NAME: copper; 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate; 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate
MOLECULAR FORMULA: C18H32CuN2O10
MOLECULAR WEIGHT: 500.00008
SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Cu+2]
CAS RN: 94138-99-5
CAS Name: bis[2-(2-hydroxyethoxy)ethyl]-methyl-octadecylammonium; methyl sulfate
OPENEYE Name: bis[2-(2-hydroxyethoxy)ethyl]-methyl-octadecyl-ammonium; methyl sulfate
IUPAC Name: bis[2-(2-hydroxyethoxy)ethyl]-methyl-octadecylazanium; methyl sulfate
SYSTEMATIC NAME: bis[2-(2-hydroxyethyloxy)ethyl]-methyl-octadecyl-azanium; methyl sulfate
MOLECULAR FORMULA: C28H61NO8S
MOLECULAR WEIGHT: 571.85084
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(CCOCCO)CCOCCO.COS(=O)(=O)[O-]
CAS RN: 84030-37-5
CAS Name: barium(2+); 5-chloro-4-methyl-2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonate
OPENEYE Name: barium(2+); 5-chloro-4-methyl-2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonate
IUPAC Name: barium(2+); 5-chloro-4-methyl-2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
SYSTEMATIC NAME: barium(2+); 5-chloranyl-4-methyl-2-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
MOLECULAR FORMULA: C17H13BaClN4O7S2
MOLECULAR WEIGHT: 622.21772
SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Ba+2]
CAS RN: 94199-76-5
CAS Name: tetrasodium N,N-bis(phosphonatomethyl)-1-hexanamine
OPENEYE Name: tetrasodium N,N-bis(phosphonatomethyl)hexan-1-amine
IUPAC Name: tetrasodium N,N-bis(phosphonatomethyl)hexan-1-amine
SYSTEMATIC NAME: tetrasodium N,N-bis(phosphonatomethyl)hexan-1-amine
MOLECULAR FORMULA: C8H17NNa4O6P2
MOLECULAR WEIGHT: 377.130282
SMILES: CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
CAS RN: 152551-91-2
CAS Name: [(1S,2R,6R)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-(2,4-dihydroxyphenyl)methanone
OPENEYE Name: [(1S,2R,6R)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)benzofuran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-cyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
IUPAC Name: [(1S,2R,6R)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
SYSTEMATIC NAME: [2,4-bis(oxidanyl)phenyl]-[(1S,2R,6R)-6-[2,4-bis(oxidanyl)phenyl]-4-methyl-2-[4-[7-(3-methylbut-2-enyl)-6-oxidanyl-1-benzofuran-2-yl]-2,6-bis(oxidanyl)phenyl]cyclohex-3-en-1-yl]methanone
MOLECULAR FORMULA: C39H36O9
MOLECULAR WEIGHT: 648.69774
SMILES: CC1=C[C@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C(=C(C=C6)O)CC=C(C)C)O
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