CAS RN: 10580-02-6
CAS Name: ammonium; oxalate; titanium
OPENEYE Name: ammonium; oxalate; titanium
IUPAC Name: azanium; oxalate; titanium
SYSTEMATIC NAME: azanium; ethanedioate; titanium
MOLECULAR FORMULA: C2H4NO4Ti-
MOLECULAR WEIGHT: 153.92446
SMILES: C(=O)(C(=O)[O-])[O-].[NH4+].[Ti]
Structure:
CAS RN: 29213-61-4
CAS Name: ammonium; oxalate; titanium
OPENEYE Name: ammonium; oxalate; titanium
IUPAC Name: azanium; oxalate; titanium
SYSTEMATIC NAME: azanium; ethanedioate; titanium
MOLECULAR FORMULA: C2H4NO4Ti-
MOLECULAR WEIGHT: 153.92446
SMILES: C(=O)(C(=O)[O-])[O-].[NH4+].[Ti]
Structure:
CAS RN: 32685-44-2
CAS Name: ammonium; oxalate; titanium
OPENEYE Name: ammonium; oxalate; titanium
IUPAC Name: azanium; oxalate; titanium
SYSTEMATIC NAME: azanium; ethanedioate; titanium
MOLECULAR FORMULA: C2H4NO4Ti-
MOLECULAR WEIGHT: 153.92446
SMILES: C(=O)(C(=O)[O-])[O-].[NH4+].[Ti]
Structure:
CAS RN: 7745-88-2
CAS Name: (3-chloro-4-methylphenyl)ammonium; hydrogen sulfate
OPENEYE Name: (3-chloro-4-methyl-phenyl)ammonium; hydrogen sulfate
IUPAC Name: (3-chloro-4-methylphenyl)azanium; hydrogen sulfate
SYSTEMATIC NAME: (3-chloranyl-4-methyl-phenyl)azanium; hydrogen sulfate
MOLECULAR FORMULA: C7H10ClNO4S
MOLECULAR WEIGHT: 239.6766
SMILES: CC1=C(C=C(C=C1)[NH3+])Cl.OS(=O)(=O)[O-]
Structure:
CAS RN: 7666-00-4
CAS Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-amine
OPENEYE Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-amine
IUPAC Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-amine
SYSTEMATIC NAME: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-amine
MOLECULAR FORMULA: C29H51NO
MOLECULAR WEIGHT: 429.72134
SMILES: CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)N
Structure:
CAS RN: 7591-11-9
CAS Name: 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-amine
OPENEYE Name: 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-amine
IUPAC Name: 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-amine
SYSTEMATIC NAME: 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-amine
MOLECULAR FORMULA: C28H49NO
MOLECULAR WEIGHT: 415.69476
SMILES: CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)N
Structure:
CAS RN: 7118-54-9
CAS Name: N'-(4-chlorophenyl)-4-methylbenzenecarboximidamide
OPENEYE Name: N'-(4-chlorophenyl)-4-methyl-benzamidine
IUPAC Name: N'-(4-chlorophenyl)-4-methylbenzenecarboximidamide
SYSTEMATIC NAME: N'-(4-chlorophenyl)-4-methyl-benzenecarboximidamide
MOLECULAR FORMULA: C14H13ClN2
MOLECULAR WEIGHT: 244.71942
SMILES: CC1=CC=C(C=C1)C(=NC2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 6613-03-2
CAS Name: 1-prop-2-ynylpyridin-1-ium bromide
OPENEYE Name: 1-prop-2-ynylpyridin-1-ium bromide
IUPAC Name: 1-prop-2-ynylpyridin-1-ium bromide
SYSTEMATIC NAME: 1-prop-2-ynylpyridin-1-ium bromide
MOLECULAR FORMULA: C8H8BrN
MOLECULAR WEIGHT: 198.05982
SMILES: C#CC[N+]1=CC=CC=C1.[Br-]
Structure:
CAS RN: 129-06-6
CAS Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate
OPENEYE Name: sodium 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate
IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
SYSTEMATIC NAME: sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate
MOLECULAR FORMULA: C19H15NaO4
MOLECULAR WEIGHT: 330.30977
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Structure:
CAS RN: 12795-55-0
CAS Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate
OPENEYE Name: sodium 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate
IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
SYSTEMATIC NAME: sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate
MOLECULAR FORMULA: C19H15NaO4
MOLECULAR WEIGHT: 330.30977
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Structure:
CAS RN: 36508-91-5
CAS Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate
OPENEYE Name: sodium 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate
IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
SYSTEMATIC NAME: sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate
MOLECULAR FORMULA: C19H15NaO4
MOLECULAR WEIGHT: 330.30977
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Structure:
CAS RN: 51821-81-9
CAS Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate
OPENEYE Name: sodium 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate
IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
SYSTEMATIC NAME: sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate
MOLECULAR FORMULA: C19H15NaO4
MOLECULAR WEIGHT: 330.30977
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Structure:
CAS RN: 5543-79-3
CAS Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate
OPENEYE Name: sodium 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate
IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
SYSTEMATIC NAME: sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate
MOLECULAR FORMULA: C19H15NaO4
MOLECULAR WEIGHT: 330.30977
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Structure:
CAS RN: 859043-62-2
CAS Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-olate
OPENEYE Name: sodium 2-oxo-3-(3-oxo-1-phenyl-butyl)chromen-4-olate
IUPAC Name: sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate
SYSTEMATIC NAME: sodium 2-oxidanylidene-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-olate
MOLECULAR FORMULA: C19H15NaO4
MOLECULAR WEIGHT: 330.30977
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
Structure:
CAS RN: 5023-02-9
CAS Name: 2-(1-cyclohexa-1,5-dienyl)-2H-1-benzopyran-3,4-diol
OPENEYE Name: 2-cyclohexa-1,5-dien-1-yl-2H-chromene-3,4-diol
IUPAC Name: 2-cyclohexa-1,5-dien-1-yl-2H-chromene-3,4-diol
SYSTEMATIC NAME: 2-cyclohexa-1,5-dien-1-yl-2H-chromene-3,4-diol
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: C1CC=C(C=C1)C2C(=C(C3=CC=CC=C3O2)O)O
Structure:
CAS RN: 4086-05-9
CAS Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)-1-naphthalenyl] sulfate
OPENEYE Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)-1-naphthyl] sulfate
IUPAC Name: disodium [4-chloro-2-(5-chloro-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)naphthalen-1-yl] sulfate
SYSTEMATIC NAME: disodium [4-chloranyl-2-(5-chloranyl-7-methoxy-4-methyl-3-sulfonatooxy-1H-indol-2-yl)naphthalen-1-yl] sulfate
MOLECULAR FORMULA: C20H13Cl2NNa2O9S2
MOLECULAR WEIGHT: 592.33406
SMILES: CC1=C(C=C(C2=C1C(=C(N2)C3=C(C4=CC=CC=C4C(=C3)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC)Cl.[Na+].[Na+]
Structure:
CAS RN: 3625-81-8
CAS Name: diaminomethylidene(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ammonium sulfate
OPENEYE Name: diaminomethylene(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ammonium sulfate
IUPAC Name: diaminomethylidene(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azanium sulfate
SYSTEMATIC NAME: bis(azanyl)methylidene-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azanium sulfate
MOLECULAR FORMULA: C10H14N3O6S-
MOLECULAR WEIGHT: 304.29966
SMILES: C1C(OC2=CC=CC=C2O1)C[NH+]=C(N)N.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 3262-86-0
CAS Name: dodecanoic acid [4,5-bis(acetyloxymethyl)-2-methyl-3-pyridinyl] ester hydrochloride
OPENEYE Name: [4,5-bis(acetoxymethyl)-2-methyl-3-pyridyl] dodecanoate hydrochloride
IUPAC Name: [4,5-bis(acetyloxymethyl)-2-methylpyridin-3-yl] dodecanoate hydrochloride
SYSTEMATIC NAME: [4,5-bis(acetyloxymethyl)-2-methyl-pyridin-3-yl] dodecanoate hydrochloride
MOLECULAR FORMULA: C24H38ClNO6
MOLECULAR WEIGHT: 472.01462
SMILES: CCCCCCCCCCCC(=O)OC1=C(C(=CN=C1C)COC(=O)C)COC(=O)C.Cl
Structure:
CAS RN: 2589-58-4
CAS Name: N-butan-2-yl-2,1-benzothiazol-3-amine
OPENEYE Name: N-sec-butyl-2,1-benzothiazol-3-amine
IUPAC Name: N-butan-2-yl-2,1-benzothiazol-3-amine
SYSTEMATIC NAME: N-butan-2-yl-2,1-benzothiazol-3-amine
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CCC(C)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 1059-95-6
CAS Name: N'-[oxo(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methyl]-N'-(phenylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide
OPENEYE Name: N'-benzyl-N'-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide
IUPAC Name: N'-benzyl-N'-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide
SYSTEMATIC NAME: N'-(phenylmethyl)-N'-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbohydrazide
MOLECULAR FORMULA: C23H24N4O4
MOLECULAR WEIGHT: 420.46106
SMILES: C1CCC2=C(C1)C(=NO2)C(=O)NN(CC3=CC=CC=C3)C(=O)C4=NOC5=C4CCCC5
Structure:
CAS RN: 877-13-4
CAS Name: 3,4,6-trichloro-5-hydroxycyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 3,4,6-trichloro-5-hydroxy-1,2-benzoquinone
IUPAC Name: 3,4,6-trichloro-5-hydroxycyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 3,4,6-tris(chloranyl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C6HCl3O3
MOLECULAR WEIGHT: 227.42934
SMILES: C1(=C(C(=O)C(=O)C(=C1Cl)Cl)Cl)O
Structure:
CAS RN: 774-15-2
CAS Name: N-propan-2-yl-2,1-benzothiazol-3-amine
OPENEYE Name: N-isopropyl-2,1-benzothiazol-3-amine
IUPAC Name: N-propan-2-yl-2,1-benzothiazol-3-amine
SYSTEMATIC NAME: N-propan-2-yl-2,1-benzothiazol-3-amine
MOLECULAR FORMULA: C10H12N2S
MOLECULAR WEIGHT: 192.28068
SMILES: CC(C)NC1=C2C=CC=CC2=NS1
Structure:
CAS RN: 743-98-6
CAS Name: 1-ethenyl-4-[[ethoxy(phenyl)phosphoryl]methyl]naphthalene
OPENEYE Name: 1-[[ethoxy(phenyl)phosphoryl]methyl]-4-vinyl-naphthalene
IUPAC Name: 1-ethenyl-4-[[ethoxy(phenyl)phosphoryl]methyl]naphthalene
SYSTEMATIC NAME: 1-ethenyl-4-[[ethoxy(phenyl)phosphoryl]methyl]naphthalene
MOLECULAR FORMULA: C21H21O2P
MOLECULAR WEIGHT: 336.364001
SMILES: CCOP(=O)(CC1=CC=C(C2=CC=CC=C12)C=C)C3=CC=CC=C3
Structure:
CAS RN: 712-12-9
CAS Name: N-(2-methylpropyl)-2,1-benzothiazol-3-amine
OPENEYE Name: N-isobutyl-2,1-benzothiazol-3-amine
IUPAC Name: N-(2-methylpropyl)-2,1-benzothiazol-3-amine
SYSTEMATIC NAME: N-(2-methylpropyl)-2,1-benzothiazol-3-amine
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CC(C)CNC1=C2C=CC=CC2=NS1
Structure:
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