CAS RN: 13463-10-0
CAS Name: iron(3+) phosphate dihydrate
OPENEYE Name: ferric phosphate dihydrate
IUPAC Name: iron(3+) phosphate dihydrate
SYSTEMATIC NAME: iron(3+) phosphate dihydrate
MOLECULAR FORMULA: FeH4O6P
MOLECULAR WEIGHT: 186.846921
SMILES: O.O.[O-]P(=O)([O-])[O-].[Fe+3]
Structure:
CAS RN: 12765-51-4
CAS Name: oxolead sulfate
OPENEYE Name: oxolead sulfate
IUPAC Name: oxolead sulfate
SYSTEMATIC NAME: oxidanylidenelead sulfate
MOLECULAR FORMULA: O5PbS-2
MOLECULAR WEIGHT: 319.262
SMILES: [O-]S(=O)(=O)[O-].O=[Pb]
Structure:
CAS RN: 12125-53-0
CAS Name: oxoindium hydroxide
OPENEYE Name: oxoindium hydroxide
IUPAC Name: oxoindium hydroxide
SYSTEMATIC NAME: oxidanylideneindium hydroxide
MOLECULAR FORMULA: HInO2-
MOLECULAR WEIGHT: 147.82474
SMILES: [OH-].O=[In]
Structure:
CAS RN: 7455-18-7
CAS Name: 1-(2-acetyl-10H-phenothiazin-10-ium-10-yl)propan-2-yl-dimethylammonium; (Z)-2-butenedioate
OPENEYE Name: [2-(2-acetyl-10H-phenothiazin-10-ium-10-yl)-1-methyl-ethyl]-dimethyl-ammonium; (Z)-but-2-enedioate
IUPAC Name: 1-(2-acetyl-10H-phenothiazin-10-ium-10-yl)propan-2-yl-dimethylazanium; (Z)-but-2-enedioate
SYSTEMATIC NAME: (Z)-but-2-enedioate; 1-(2-ethanoyl-10H-phenothiazin-10-ium-10-yl)propan-2-yl-dimethyl-azanium
MOLECULAR FORMULA: C23H26N2O5S
MOLECULAR WEIGHT: 442.52794
SMILES: CC(C[NH+]1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)[NH+](C)C.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:
CAS RN: 6535-56-4
CAS Name: tetrasodium (3E)-3-[[4-[(2E)-2-[6-[[(6Z)-6-[[4-[(2Z)-2-(3-carboxylato-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-5-oxo-7-sulfonato-2-naphthalenyl]amino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]-5-metho
OPENEYE Name: tetrasodium (3E)-3-[[4-[(2E)-2-[6-[[(6Z)-6-[[4-[(2Z)-2-(3-carboxylato-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2-methoxy-5-methyl-phenyl]hydrazono]-5-oxo-7-sulfonato-2-naphthyl]amino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]-5-methoxy-2-methyl-ph
IUPAC Name: tetrasodium (3E)-3-[[4-[(2E)-2-[6-[[(6Z)-6-[[4-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-5-oxo-7-sulfonatonaphthalen-2-yl]amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-5-metho
SYSTEMATIC NAME: tetrasodium (3E)-3-[[4-[(2E)-2-[6-[[(6Z)-6-[[4-[(2Z)-2-(3-carboxylato-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-methoxy-5-methyl-phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfonato-naphthalen-2-yl]amino]-1-oxidanylidene-3-sulfonato-naphth
MOLECULAR FORMULA: C50H35N9Na4O16S2
MOLECULAR WEIGHT: 1173.95268
SMILES: CC1=CC(=C(C=C1N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-])OC)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC5=CC6=C(C=C5)C(=O)/C(=N\NC7=C(C=C(C(=C7)C)N/N=C/8\C=CC(=O)C(=C8)C(=O)[O-])OC)/C(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 54077-18-8
CAS Name: 3,5,6,7,8-pentahydroxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3,5,6,7,8-pentahydroxy-2-phenyl-chromen-4-one
IUPAC Name: 3,5,6,7,8-pentahydroxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 3,5,6,7,8-pentakis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H10O7
MOLECULAR WEIGHT: 302.2357
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3O)O)O)O)O
Structure:
CAS RN: 53423-98-6
CAS Name: zinc N,N-bis(2-ethylhexyl)carbamothioate carbamothioate
OPENEYE Name: zinc N,N-bis(2-ethylhexyl)carbamothioate carbamothioate
IUPAC Name: zinc N,N-bis(2-ethylhexyl)carbamothioate carbamothioate
SYSTEMATIC NAME: zinc N,N-bis(2-ethylhexyl)carbamothioate carbamothioate
MOLECULAR FORMULA: C18H36N2O2S2Zn
MOLECULAR WEIGHT: 442.02964
SMILES: CCCCC(CC)CN(CC(CC)CCCC)C(=S)[O-].C(=S)(N)[O-].[Zn+2]
Structure:
CAS RN: 51910-49-7
CAS Name: acetic acid [1-[2-[2-(2-methyl-1-pyrrolyl)ethyl]phenyl]cyclopentyl] ester
OPENEYE Name: [1-[2-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]cyclopentyl] acetate
IUPAC Name: [1-[2-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]cyclopentyl] acetate
SYSTEMATIC NAME: [1-[2-[2-(2-methylpyrrol-1-yl)ethyl]phenyl]cyclopentyl] ethanoate
MOLECULAR FORMULA: C20H25NO2
MOLECULAR WEIGHT: 311.418
SMILES: CC1=CC=CN1CCC2=CC=CC=C2C3(CCCC3)OC(=O)C
Structure:
CAS RN: 41098-60-6
CAS Name: tetrasodium 6-imino-5-[[4-[[[4-[[[4-[[4-[(2-imino-8-oxo-6-sulfonato-1-naphthalenyl)hydrazo]-3-sulfonatoanilino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-2-sulfonatophenyl]hydrazo]-4-oxo-2-naphthalenesulfonate
OPENEYE Name: tetrasodium 6-imino-5-[2-[4-[[4-[[4-[[4-[2-(2-imino-8-oxo-6-sulfonato-1-naphthyl)hydrazino]-3-sulfonato-phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-2-sulfonato-phenyl]hydrazino]-4-oxo-naphthalene-2-sulfonate
IUPAC Name: tetrasodium 6-imino-5-[2-[4-[[4-[[4-[[4-[2-(2-imino-8-oxo-6-sulfonatonaphthalen-1-yl)hydrazinyl]-3-sulfonatophenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-2-sulfonatophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: tetrasodium 6-azanylidene-5-[2-[4-[[4-[[4-[[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfonato-naphthalen-1-yl)hydrazinyl]-3-sulfonato-phenyl]carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-s
MOLECULAR FORMULA: C47H32N10Na4O17S4
MOLECULAR WEIGHT: 1229.03286
SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=CC3=N)S(=O)(=O)[O-])NC(=O)NC5=CC=C(C=C5)C(=O)NC6=CC(=C(C=C6)NNC7=C8C(=CC(=CC8=O)S(=O)(=O)[O-])C=CC7=N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 39825-72-4
CAS Name: 2-aminoethanolate; titanium(4+)
OPENEYE Name: 2-aminoethanolate; titanium(4+)
IUPAC Name: 2-aminoethanolate; titanium(4+)
SYSTEMATIC NAME: 2-azanylethanolate; titanium(4+)
MOLECULAR FORMULA: C2H6NOTi+3
MOLECULAR WEIGHT: 107.94214
SMILES: C(C[O-])N.[Ti+4]
Structure:
CAS RN: 39318-30-4
CAS Name: lithium potassium oxotitanium
OPENEYE Name: lithium potassium oxotitanium
IUPAC Name: lithium potassium oxotitanium
SYSTEMATIC NAME: lithium potassium oxidanylidenetitanium
MOLECULAR FORMULA: KLiOTi+2
MOLECULAR WEIGHT: 109.9057
SMILES: [Li+].O=[Ti].[K+]
Structure:
CAS RN: 39290-90-9
CAS Name: magnesium potassium oxotitanium
OPENEYE Name: magnesium potassium oxotitanium
IUPAC Name: magnesium potassium oxotitanium
SYSTEMATIC NAME: magnesium potassium oxidanylidenetitanium
MOLECULAR FORMULA: KMgOTi+3
MOLECULAR WEIGHT: 127.2697
SMILES: O=[Ti].[Mg+2].[K+]
Structure:
CAS RN: 39262-04-9
CAS Name: 2-propanolate; thallium(1+)
OPENEYE Name: propan-2-olate; thallium(1+)
IUPAC Name: propan-2-olate; thallium(1+)
SYSTEMATIC NAME: propan-2-olate; thallium(1+)
MOLECULAR FORMULA: C3H7OTl
MOLECULAR WEIGHT: 263.47038
SMILES: CC(C)[O-].[Tl+]
Structure:
CAS RN: 39043-53-3
CAS Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanol acetate
OPENEYE Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanol acetate
IUPAC Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanol acetate
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydro-1H-imidazol-3-ium-3-yl]ethanol ethanoate
MOLECULAR FORMULA: C24H46N2O3
MOLECULAR WEIGHT: 410.63364
SMILES: CCCCCCCCCCCCCCC/C=C/C1=[N+](CCN1)CCO.CC(=O)[O-]
Structure:
CAS RN: 38824-42-9
CAS Name: 2-(4-chlorophenyl)-3H-benzo[e]indole
OPENEYE Name: 2-(4-chlorophenyl)-3H-benzo[e]indole
IUPAC Name: 2-(4-chlorophenyl)-3H-benzo[e]indole
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3H-benzo[e]indole
MOLECULAR FORMULA: C18H12ClN
MOLECULAR WEIGHT: 277.74758
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(N3)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 38720-66-0
CAS Name: 1,2-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
OPENEYE Name: 1,2-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
IUPAC Name: 1,2-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
SYSTEMATIC NAME: 1,2-bis(chloranyl)-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
MOLECULAR FORMULA: C20H10Cl2N2O2
MOLECULAR WEIGHT: 381.2116
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=CC(=C5Cl)Cl
Structure:
CAS RN: 38586-42-4
CAS Name: (2E)-2-[(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide
OPENEYE Name: (2E)-2-[(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)methylene]-3-methyl-6-nitro-1,3-benzothiazole iodide
IUPAC Name: (2E)-2-[(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2E)-2-[(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)methylidene]-3-methyl-6-nitro-1,3-benzothiazole iodide
MOLECULAR FORMULA: C14H16IN3O2S2
MOLECULAR WEIGHT: 449.33021
SMILES: CC[N+]1=C(SCC1)/C=C/2\N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C.[I-]
Structure:
CAS RN: 14981-82-9
CAS Name: samarium-144
OPENEYE Name: samarium-144
IUPAC Name: samarium-144
SYSTEMATIC NAME: samarium-144
MOLECULAR FORMULA: Sm
MOLECULAR WEIGHT: 143.911995
SMILES: [144Sm]
Structure:
CAS RN: 14913-64-5
CAS Name: samarium-148
OPENEYE Name: samarium-148
IUPAC Name: samarium-148
SYSTEMATIC NAME: samarium-148
MOLECULAR FORMULA: Sm
MOLECULAR WEIGHT: 147.914818
SMILES: [148Sm]
Structure:
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