CAS RN: 13010-19-0
CAS Name: 1-chloro-3-isocyanatopropane
OPENEYE Name: 1-chloro-3-isocyanato-propane
IUPAC Name: 1-chloro-3-isocyanatopropane
SYSTEMATIC NAME: 1-chloranyl-3-isocyanato-propane
MOLECULAR FORMULA: C4H6ClNO
MOLECULAR WEIGHT: 119.54954
SMILES: C(CN=C=O)CCl
Structure:
CAS RN: 13004-58-5
CAS Name: 1-ethyl-N3,N4-dimethylpyrazole-3,4-dicarboxamide
OPENEYE Name: 1-ethyl-N3,N4-dimethyl-pyrazole-3,4-dicarboxamide
IUPAC Name: 1-ethyl-3-N,4-N-dimethylpyrazole-3,4-dicarboxamide
SYSTEMATIC NAME: 1-ethyl-N3,N4-dimethyl-pyrazole-3,4-dicarboxamide
MOLECULAR FORMULA: C9H14N4O2
MOLECULAR WEIGHT: 210.23306
SMILES: CCN1C=C(C(=N1)C(=O)NC)C(=O)NC
Structure:
CAS RN: 12794-92-2
CAS Name: aluminum tribromide
OPENEYE Name: aluminum tribromide
IUPAC Name: aluminum tribromide
SYSTEMATIC NAME: aluminum tribromide
MOLECULAR FORMULA: AlBr3
MOLECULAR WEIGHT: 266.693538
SMILES: [Al+3].[Br-].[Br-].[Br-]
Structure:
CAS RN: 39380-76-2
CAS Name: aluminum tribromide
OPENEYE Name: aluminum tribromide
IUPAC Name: aluminum tribromide
SYSTEMATIC NAME: aluminum tribromide
MOLECULAR FORMULA: AlBr3
MOLECULAR WEIGHT: 266.693538
SMILES: [Al+3].[Br-].[Br-].[Br-]
Structure:
CAS RN: 56803-00-0
CAS Name: aluminum tribromide
OPENEYE Name: aluminum tribromide
IUPAC Name: aluminum tribromide
SYSTEMATIC NAME: aluminum tribromide
MOLECULAR FORMULA: AlBr3
MOLECULAR WEIGHT: 266.693538
SMILES: [Al+3].[Br-].[Br-].[Br-]
Structure:
CAS RN: 12778-65-3
CAS Name: mercury; silver
OPENEYE Name: mercury; silver
IUPAC Name: mercury; silver
SYSTEMATIC NAME: mercury; silver
MOLECULAR FORMULA: AgHg
MOLECULAR WEIGHT: 308.4582
SMILES: [Ag].[Hg]
Structure:
CAS RN: 12777-87-6
CAS Name: methane; sulfuric acid
OPENEYE Name: methane; sulfuric acid
IUPAC Name: methane; sulfuric acid
SYSTEMATIC NAME: methane; sulfuric acid
MOLECULAR FORMULA: CH6O4S
MOLECULAR WEIGHT: 114.12094
SMILES: C.OS(=O)(=O)O
Structure:
CAS RN: 37294-29-4
CAS Name: methane; sulfuric acid
OPENEYE Name: methane; sulfuric acid
IUPAC Name: methane; sulfuric acid
SYSTEMATIC NAME: methane; sulfuric acid
MOLECULAR FORMULA: CH6O4S
MOLECULAR WEIGHT: 114.12094
SMILES: C.OS(=O)(=O)O
Structure:
CAS RN: 458549-00-3
CAS Name: methane; sulfuric acid
OPENEYE Name: methane; sulfuric acid
IUPAC Name: methane; sulfuric acid
SYSTEMATIC NAME: methane; sulfuric acid
MOLECULAR FORMULA: CH6O4S
MOLECULAR WEIGHT: 114.12094
SMILES: C.OS(=O)(=O)O
Structure:
CAS RN: 65035-44-1
CAS Name: methane; sulfuric acid
OPENEYE Name: methane; sulfuric acid
IUPAC Name: methane; sulfuric acid
SYSTEMATIC NAME: methane; sulfuric acid
MOLECULAR FORMULA: CH6O4S
MOLECULAR WEIGHT: 114.12094
SMILES: C.OS(=O)(=O)O
Structure:
CAS RN: 115920-72-4
CAS Name: dibismuth; oxygen(2-); tin(4+)
OPENEYE Name: dibismuth distannic oxygen(2-)
IUPAC Name: dibismuth; oxygen(2-); tin(4+)
SYSTEMATIC NAME: dibismuth; oxygen(2-); tin(4+)
MOLECULAR FORMULA: Bi2O7Sn2
MOLECULAR WEIGHT: 767.37656
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sn+4].[Sn+4].[Bi+3].[Bi+3]
Structure:
CAS RN: 12777-45-6
CAS Name: dibismuth; oxygen(2-); tin(4+)
OPENEYE Name: dibismuth distannic oxygen(2-)
IUPAC Name: dibismuth; oxygen(2-); tin(4+)
SYSTEMATIC NAME: dibismuth; oxygen(2-); tin(4+)
MOLECULAR FORMULA: Bi2O7Sn2
MOLECULAR WEIGHT: 767.37656
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sn+4].[Sn+4].[Bi+3].[Bi+3]
Structure:
CAS RN: 12769-08-3
CAS Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonate
OPENEYE Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate
IUPAC Name: copper trisodium 5-acetamido-4-oxido-3-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: copper trisodium 5-acetamido-4-oxidanidyl-3-[[2-oxidanidyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C20H14CuN3Na3O15S4
MOLECULAR WEIGHT: 797.11157
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 19761-56-9
CAS Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonate
OPENEYE Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate
IUPAC Name: copper trisodium 5-acetamido-4-oxido-3-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: copper trisodium 5-acetamido-4-oxidanidyl-3-[[2-oxidanidyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C20H14CuN3Na3O15S4
MOLECULAR WEIGHT: 797.11157
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 37311-13-0
CAS Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azonaphthalene-2,7-disulfonate
OPENEYE Name: copper trisodium 5-acetamido-4-oxido-3-[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-naphthalene-2,7-disulfonate
IUPAC Name: copper trisodium 5-acetamido-4-oxido-3-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
SYSTEMATIC NAME: copper trisodium 5-acetamido-4-oxidanidyl-3-[[2-oxidanidyl-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C20H14CuN3Na3O15S4
MOLECULAR WEIGHT: 797.11157
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 12311-24-9
CAS Name: calcium magnesium dioxido(oxo)silane
OPENEYE Name: calcium magnesium dioxido(oxo)silane
IUPAC Name: calcium magnesium dioxido(oxo)silane
SYSTEMATIC NAME: calcium magnesium bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: CaMgO6Si2
MOLECULAR WEIGHT: 216.5504
SMILES: [O-][Si](=O)[O-].[O-][Si](=O)[O-].[Mg+2].[Ca+2]
Structure:
CAS RN: 12751-47-2
CAS Name: disilver sulfide
OPENEYE Name: disilver sulfide
IUPAC Name: disilver sulfide
SYSTEMATIC NAME: disilver sulfide
MOLECULAR FORMULA: Ag2S
MOLECULAR WEIGHT: 247.8014
SMILES: [S-2].[Ag+].[Ag+]
Structure:
CAS RN: 12709-98-7
CAS Name: chromium(3+); lead(2+); molybdenum; oxygen(2-)
OPENEYE Name: dichromic; diplumbous; molybdenum; oxygen(2-)
IUPAC Name: chromium(3+); lead(2+); molybdenum; oxygen(2-)
SYSTEMATIC NAME: chromium(3+); lead(2+); molybdenum; oxygen(2-)
MOLECULAR FORMULA: Cr2Mo2O11Pb2-12
MOLECULAR WEIGHT: 886.2656
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Mo].[Mo].[Pb+2].[Pb+2]
Structure:
CAS RN: 56730-34-8
CAS Name: chromium(3+); lead(2+); molybdenum; oxygen(2-)
OPENEYE Name: dichromic; diplumbous; molybdenum; oxygen(2-)
IUPAC Name: chromium(3+); lead(2+); molybdenum; oxygen(2-)
SYSTEMATIC NAME: chromium(3+); lead(2+); molybdenum; oxygen(2-)
MOLECULAR FORMULA: Cr2Mo2O11Pb2-12
MOLECULAR WEIGHT: 886.2656
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Mo].[Mo].[Pb+2].[Pb+2]
Structure:
CAS RN: 57456-13-0
CAS Name: chromium(3+); lead(2+); molybdenum; oxygen(2-)
OPENEYE Name: dichromic; diplumbous; molybdenum; oxygen(2-)
IUPAC Name: chromium(3+); lead(2+); molybdenum; oxygen(2-)
SYSTEMATIC NAME: chromium(3+); lead(2+); molybdenum; oxygen(2-)
MOLECULAR FORMULA: Cr2Mo2O11Pb2-12
MOLECULAR WEIGHT: 886.2656
SMILES: [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Mo].[Mo].[Pb+2].[Pb+2]
Structure:
CAS RN: 12704-02-8
CAS Name: triammonium; oxygen(2-); tungsten; trihydroxide; tetraphosphate
OPENEYE Name: triammonium; oxygen(2-); tungsten; trihydroxide; tetraphosphate
IUPAC Name: triazanium; oxygen(2-); tungsten; trihydroxide; tetraphosphate
SYSTEMATIC NAME: triazanium; oxygen(2-); tungsten; trihydroxide; tetraphosphate
MOLECULAR FORMULA: H15N3O22P4W3-18
MOLECULAR WEIGHT: 1084.541044
SMILES: [NH4+].[NH4+].[NH4+].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[W].[W].[W]
Structure:
CAS RN: 12688-06-1
CAS Name: thorium(4+) tetrahydroxide
OPENEYE Name: thorium(4+) tetrahydroxide
IUPAC Name: thorium(4+) tetrahydroxide
SYSTEMATIC NAME: thorium(4+) tetrahydroxide
MOLECULAR FORMULA: H4O4Th
MOLECULAR WEIGHT: 300.06746
SMILES: [OH-].[OH-].[OH-].[OH-].[Th+4]
Structure:
CAS RN: 1488-21-7
CAS Name: 6-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-triazin-4-one
OPENEYE Name: 6-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-triazin-4-one
IUPAC Name: 6-amino-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-triazin-4-one
SYSTEMATIC NAME: 6-azanyl-5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-1,2,3-triazin-4-one
MOLECULAR FORMULA: C8H12N4O5
MOLECULAR WEIGHT: 244.20468
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=C(NN=NC2=O)N)O)O)O
Structure:
CAS RN: 12688-05-0
CAS Name: dihydroxy(oxo)silane; tetrakis(2-hydroxyethyl)ammonium
OPENEYE Name: dihydroxy(oxo)silane; tetrakis(2-hydroxyethyl)ammonium
IUPAC Name: dihydroxy(oxo)silane; tetrakis(2-hydroxyethyl)azanium
SYSTEMATIC NAME: bis(oxidanyl)-oxidanylidene-silane; tetrakis(2-hydroxyethyl)azanium
MOLECULAR FORMULA: C8H22NO7Si+
MOLECULAR WEIGHT: 272.34828
SMILES: C(CO)[N+](CCO)(CCO)CCO.O[Si](=O)O
Structure:
CAS RN: 12655-04-8
CAS Name: antimony(3+); barium(2+); 2,3-dioxidobutanedioate
OPENEYE Name: antimony(3+); barium(2+); 2,3-dioxidobutanedioate
IUPAC Name: antimony(3+); barium(2+); 2,3-dioxidobutanedioate
SYSTEMATIC NAME: antimony(3+); barium(2+); 2,3-bis(oxidanidyl)butanedioate
MOLECULAR FORMULA: C8H4BaO12Sb2
MOLECULAR WEIGHT: 672.95716
SMILES: C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Sb+3].[Sb+3].[Ba+2]
Structure:
CAS RN: 1320-57-6
CAS Name: antimony(3+); barium(2+); 2,3-dioxidobutanedioate
OPENEYE Name: antimony(3+); barium(2+); 2,3-dioxidobutanedioate
IUPAC Name: antimony(3+); barium(2+); 2,3-dioxidobutanedioate
SYSTEMATIC NAME: antimony(3+); barium(2+); 2,3-bis(oxidanidyl)butanedioate
MOLECULAR FORMULA: C8H4BaO12Sb2
MOLECULAR WEIGHT: 672.95716
SMILES: C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Sb+3].[Sb+3].[Ba+2]
Structure:
CAS RN: 148523-91-5
CAS Name: 2-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]methoxy]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]methoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]methoxy]oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[[5-[[3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-2,3,4-tris(oxidanyl)cyclohexyl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C20H35NO13
MOLECULAR WEIGHT: 497.4908
SMILES: C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)COC3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 13255-26-0
CAS Name: barium(2+); dioxido(oxo)silane
OPENEYE Name: barium(2+); dioxido(oxo)silane
IUPAC Name: barium(2+); dioxido(oxo)silane
SYSTEMATIC NAME: barium(2+); bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: BaO3Si
MOLECULAR WEIGHT: 213.4107
SMILES: [O-][Si](=O)[O-].[Ba+2]
Structure:
CAS RN: 12650-28-1
CAS Name: barium(2+); dioxido(oxo)silane
OPENEYE Name: barium(2+); dioxido(oxo)silane
IUPAC Name: barium(2+); dioxido(oxo)silane
SYSTEMATIC NAME: barium(2+); bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: BaO3Si
MOLECULAR WEIGHT: 213.4107
SMILES: [O-][Si](=O)[O-].[Ba+2]
Structure:
CAS RN: 12712-62-8
CAS Name: barium(2+); dioxido(oxo)silane
OPENEYE Name: barium(2+); dioxido(oxo)silane
IUPAC Name: barium(2+); dioxido(oxo)silane
SYSTEMATIC NAME: barium(2+); bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: BaO3Si
MOLECULAR WEIGHT: 213.4107
SMILES: [O-][Si](=O)[O-].[Ba+2]
Structure:
CAS RN: 422550-51-4
CAS Name: barium(2+); dioxido(oxo)silane
OPENEYE Name: barium(2+); dioxido(oxo)silane
IUPAC Name: barium(2+); dioxido(oxo)silane
SYSTEMATIC NAME: barium(2+); bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: BaO3Si
MOLECULAR WEIGHT: 213.4107
SMILES: [O-][Si](=O)[O-].[Ba+2]
Structure:
CAS RN: 729609-38-5
CAS Name: barium(2+); dioxido(oxo)silane
OPENEYE Name: barium(2+); dioxido(oxo)silane
IUPAC Name: barium(2+); dioxido(oxo)silane
SYSTEMATIC NAME: barium(2+); bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: BaO3Si
MOLECULAR WEIGHT: 213.4107
SMILES: [O-][Si](=O)[O-].[Ba+2]
Structure:
CAS RN: 12626-43-6
CAS Name: chromium(3+) trihydroxide
OPENEYE Name: chromic trihydroxide
IUPAC Name: chromium(3+) trihydroxide
SYSTEMATIC NAME: chromium(3+) trihydroxide
MOLECULAR FORMULA: CrH3O3
MOLECULAR WEIGHT: 103.01812
SMILES: [OH-].[OH-].[OH-].[Cr+3]
Structure:
CAS RN: 12596-80-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H2O3
MOLECULAR WEIGHT: 50.01408
SMILES: OOO
Structure:
CAS RN: 12137-08-5
CAS Name: nickel(2+) sulfide
OPENEYE Name: nickelous sulfide
IUPAC Name: nickel(2+) sulfide
SYSTEMATIC NAME: nickel(2+) sulfide
MOLECULAR FORMULA: NiS
MOLECULAR WEIGHT: 90.7584
SMILES: [S-2].[Ni+2]
Structure:
CAS RN: 12503-53-6
CAS Name: nickel(2+) sulfide
OPENEYE Name: nickelous sulfide
IUPAC Name: nickel(2+) sulfide
SYSTEMATIC NAME: nickel(2+) sulfide
MOLECULAR FORMULA: NiS
MOLECULAR WEIGHT: 90.7584
SMILES: [S-2].[Ni+2]
Structure:
CAS RN: 27911-69-9
CAS Name: nickel(2+) sulfide
OPENEYE Name: nickelous sulfide
IUPAC Name: nickel(2+) sulfide
SYSTEMATIC NAME: nickel(2+) sulfide
MOLECULAR FORMULA: NiS
MOLECULAR WEIGHT: 90.7584
SMILES: [S-2].[Ni+2]
Structure:
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