CAS RN: 23424-47-7
CAS Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester hydrochloride
OPENEYE Name: methyl N-(1H-benzimidazol-2-yl)carbamate hydrochloride
IUPAC Name: methyl N-(1H-benzimidazol-2-yl)carbamate hydrochloride
SYSTEMATIC NAME: methyl N-(1H-benzimidazol-2-yl)carbamate hydrochloride
MOLECULAR FORMULA: C9H10ClN3O2
MOLECULAR WEIGHT: 227.6476
SMILES: COC(=O)NC1=NC2=CC=CC=C2N1.Cl
Structure:
CAS RN: 37574-18-8
CAS Name: N-(1H-benzimidazol-2-yl)carbamic acid methyl ester hydrochloride
OPENEYE Name: methyl N-(1H-benzimidazol-2-yl)carbamate hydrochloride
IUPAC Name: methyl N-(1H-benzimidazol-2-yl)carbamate hydrochloride
SYSTEMATIC NAME: methyl N-(1H-benzimidazol-2-yl)carbamate hydrochloride
MOLECULAR FORMULA: C9H10ClN3O2
MOLECULAR WEIGHT: 227.6476
SMILES: COC(=O)NC1=NC2=CC=CC=C2N1.Cl
Structure:
CAS RN: 43171-49-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H80O8
MOLECULAR WEIGHT: 785.144
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCCCCCCCCCC)O)C
Structure:
CAS RN: 37509-99-2
CAS Name: magnesium hexane
OPENEYE Name: magnesium hexane
IUPAC Name: magnesium hexane
SYSTEMATIC NAME: magnesium hexane
MOLECULAR FORMULA: C12H26Mg
MOLECULAR WEIGHT: 194.63984
SMILES: CCCCC[CH2-].CCCCC[CH2-].[Mg+2]
Structure:
CAS RN: 61012-28-0
CAS Name: magnesium hexane
OPENEYE Name: magnesium hexane
IUPAC Name: magnesium hexane
SYSTEMATIC NAME: magnesium hexane
MOLECULAR FORMULA: C12H26Mg
MOLECULAR WEIGHT: 194.63984
SMILES: CCCCC[CH2-].CCCCC[CH2-].[Mg+2]
Structure:
CAS RN: 37475-01-7
CAS Name: thallium(1+); thallium(3+); disulfate
OPENEYE Name: thallium(1+); thallium(3+); disulfate
IUPAC Name: thallium(1+); thallium(3+); disulfate
SYSTEMATIC NAME: thallium(1+); thallium(3+); disulfate
MOLECULAR FORMULA: O8S2Tl2
MOLECULAR WEIGHT: 600.8918
SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tl+].[Tl+3]
Structure:
CAS RN: 37466-21-0
CAS Name: 2-acetyloxybenzoic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: 2-acetoxybenzoic acid; (2S)-2-amino-5-guanidino-pentanoic acid
IUPAC Name: 2-acetyloxybenzoic acid; (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: 2-acetyloxybenzoic acid; (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C15H22N4O6
MOLECULAR WEIGHT: 354.35838
SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N
Structure:
CAS RN: 37457-75-3
CAS Name: calcium 2-sulfidoacetate
OPENEYE Name: calcium 2-sulfidoacetate
IUPAC Name: calcium 2-sulfidoacetate
SYSTEMATIC NAME: calcium 2-sulfanidylethanoate
MOLECULAR FORMULA: C2H2CaO2S
MOLECULAR WEIGHT: 130.17908
SMILES: C(C(=O)[O-])[S-].[Ca+2]
Structure:
CAS RN: 37450-42-3
CAS Name: 2-chlorobuta-1,3-diene; sulfane
OPENEYE Name: 2-chlorobuta-1,3-diene; hydrogen sulfide
IUPAC Name: 2-chlorobuta-1,3-diene; sulfane
SYSTEMATIC NAME: 2-chloranylbuta-1,3-diene; sulfane
MOLECULAR FORMULA: C4H7ClS
MOLECULAR WEIGHT: 122.61638
SMILES: C=CC(=C)Cl.S
Structure:
CAS RN: 37433-35-5
CAS Name: ethene; 4-methyl-2-methylenepentanoic acid; 2-methyl-2-propenoic acid
OPENEYE Name: ethylene; 4-methyl-2-methylene-pentanoic acid; 2-methylprop-2-enoic acid
IUPAC Name: ethene; 4-methyl-2-methylidenepentanoic acid; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: ethene; 4-methyl-2-methylidene-pentanoic acid; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C13H22O4
MOLECULAR WEIGHT: 242.31138
SMILES: CC(C)CC(=C)C(=O)O.CC(=C)C(=O)O.C=C
Structure:
CAS RN: 440092-64-8
CAS Name: ethene; 4-methyl-2-methylenepentanoic acid; 2-methyl-2-propenoic acid
OPENEYE Name: ethylene; 4-methyl-2-methylene-pentanoic acid; 2-methylprop-2-enoic acid
IUPAC Name: ethene; 4-methyl-2-methylidenepentanoic acid; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: ethene; 4-methyl-2-methylidene-pentanoic acid; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C13H22O4
MOLECULAR WEIGHT: 242.31138
SMILES: CC(C)CC(=C)C(=O)O.CC(=C)C(=O)O.C=C
Structure:
CAS RN: 287726-78-7
CAS Name: furan-2,5-dione; 3-(3-hydroxypropoxy)-1-propanol
OPENEYE Name: furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
IUPAC Name: furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
SYSTEMATIC NAME: furan-2,5-dione; 3-(3-oxidanylpropoxy)propan-1-ol
MOLECULAR FORMULA: C10H16O6
MOLECULAR WEIGHT: 232.23044
SMILES: C1=CC(=O)OC1=O.C(CO)COCCCO
Structure:
CAS RN: 37339-47-2
CAS Name: furan-2,5-dione; 3-(3-hydroxypropoxy)-1-propanol
OPENEYE Name: furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
IUPAC Name: furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
SYSTEMATIC NAME: furan-2,5-dione; 3-(3-oxidanylpropoxy)propan-1-ol
MOLECULAR FORMULA: C10H16O6
MOLECULAR WEIGHT: 232.23044
SMILES: C1=CC(=O)OC1=O.C(CO)COCCCO
Structure:
CAS RN: 37321-15-6
CAS Name: dioxido(oxo)silane; nickel(2+)
OPENEYE Name: nickelous dioxido(oxo)silane
IUPAC Name: dioxido(oxo)silane; nickel(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-silane; nickel(2+)
MOLECULAR FORMULA: NiO3Si
MOLECULAR WEIGHT: 134.7771
SMILES: [O-][Si](=O)[O-].[Ni+2]
Structure:
CAS RN: 55072-59-8
CAS Name: dioxido(oxo)silane; nickel(2+)
OPENEYE Name: nickelous dioxido(oxo)silane
IUPAC Name: dioxido(oxo)silane; nickel(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-silane; nickel(2+)
MOLECULAR FORMULA: NiO3Si
MOLECULAR WEIGHT: 134.7771
SMILES: [O-][Si](=O)[O-].[Ni+2]
Structure:
CAS RN: 956229-60-0
CAS Name: dioxido(oxo)silane; nickel(2+)
OPENEYE Name: nickelous dioxido(oxo)silane
IUPAC Name: dioxido(oxo)silane; nickel(2+)
SYSTEMATIC NAME: bis(oxidanidyl)-oxidanylidene-silane; nickel(2+)
MOLECULAR FORMULA: NiO3Si
MOLECULAR WEIGHT: 134.7771
SMILES: [O-][Si](=O)[O-].[Ni+2]
Structure:
CAS RN: 103289-04-9
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 103289-05-0
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 115469-33-5
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 37318-31-3
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 61090-24-2
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 62610-60-0
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 67621-27-6
CAS Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; stearic acid
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; octadecanoic acid
MOLECULAR FORMULA: C30H58O13
MOLECULAR WEIGHT: 626.77372
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 112186-32-0
CAS Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C27H27ClN2O5
MOLECULAR WEIGHT: 494.96668
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 37312-33-7
CAS Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C27H27ClN2O5
MOLECULAR WEIGHT: 494.96668
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 418764-51-9
CAS Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C27H27ClN2O5
MOLECULAR WEIGHT: 494.96668
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 418766-28-6
CAS Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methylbenzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 1,3-diisocyanato-2-methyl-benzene; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C27H27ClN2O5
MOLECULAR WEIGHT: 494.96668
SMILES: CC1=C(C=CC=C1N=C=O)N=C=O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
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