CAS RN: 13597-20-1
CAS Name: oxoniobium trihydrochloride
OPENEYE Name: oxoniobium trihydrochloride
IUPAC Name: oxoniobium trihydrochloride
SYSTEMATIC NAME: oxidanylideneniobium trihydrochloride
MOLECULAR FORMULA: Cl3H3NbO
MOLECULAR WEIGHT: 218.2886
SMILES: O=[Nb].Cl.Cl.Cl
Structure:
CAS RN: 13596-75-3
CAS Name: propylsulfonylbenzene
OPENEYE Name: propylsulfonylbenzene
IUPAC Name: propylsulfonylbenzene
SYSTEMATIC NAME: propylsulfonylbenzene
MOLECULAR FORMULA: C9H12O2S
MOLECULAR WEIGHT: 184.25538
SMILES: CCCS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 13595-90-9
CAS Name: bromo(chloro)stannane
OPENEYE Name: bromo(chloro)stannane
IUPAC Name: bromo(chloro)stannane
SYSTEMATIC NAME: bromanyl(chloranyl)stannane
MOLECULAR FORMULA: BrClH2Sn
MOLECULAR WEIGHT: 236.08288
SMILES: Cl[SnH2]Br
Structure:
CAS RN: 13588-94-8
CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-hydroxypropanoic acid
OPENEYE Name: 2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoic acid
IUPAC Name: 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C8H16N2O4
MOLECULAR WEIGHT: 204.22364
SMILES: CC(C)C(C(=O)NC(CO)C(=O)O)N
Structure:
CAS RN: 13587-54-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H2O
MOLECULAR WEIGHT: 18.015165
SMILES: [1H]O
Structure:
CAS RN: 13587-50-3
CAS Name: protiophosphine
OPENEYE Name: protiophosphane
IUPAC Name: protiophosphane
SYSTEMATIC NAME: protiophosphane
MOLECULAR FORMULA: H3P
MOLECULAR WEIGHT: 33.997466
SMILES: [1H]P
Structure:
CAS RN: 13587-49-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H3N
MOLECULAR WEIGHT: 18.036682
SMILES: [2H]N
Structure:
CAS RN: 13576-20-0
CAS Name: 1,4-dimethyl-5-tetrazolone
OPENEYE Name: 1,4-dimethyltetrazol-5-one
IUPAC Name: 1,4-dimethyltetrazol-5-one
SYSTEMATIC NAME: 1,4-dimethyl-1,2,3,4-tetrazol-5-one
MOLECULAR FORMULA: C3H6N4O
MOLECULAR WEIGHT: 114.10594
SMILES: CN1C(=O)N(N=N1)C
Structure:
CAS RN: 13569-43-2
CAS Name: bromogermane
OPENEYE Name: bromogermane
IUPAC Name: bromogermane
SYSTEMATIC NAME: bromanylgermane
MOLECULAR FORMULA: BrGeH3
MOLECULAR WEIGHT: 155.56782
SMILES: [GeH3]Br
Structure:
CAS RN: 13565-36-1
CAS Name: 1-heptoxy-4-nitrobenzene
OPENEYE Name: 1-heptoxy-4-nitro-benzene
IUPAC Name: 1-heptoxy-4-nitrobenzene
SYSTEMATIC NAME: 1-heptoxy-4-nitro-benzene
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 13562-76-0
CAS Name: 3-oxobutanoic acid butan-2-yl ester
OPENEYE Name: sec-butyl 3-oxobutanoate
IUPAC Name: butan-2-yl 3-oxobutanoate
SYSTEMATIC NAME: butan-2-yl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CCC(C)OC(=O)CC(=O)C
Structure:
CAS RN: 13556-58-6
CAS Name: 1-ethyl-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 1-ethyltetralin
IUPAC Name: 1-ethyl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 1-ethyl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: CCC1CCCC2=CC=CC=C12
Structure:
CAS RN: 13550-32-8
CAS Name: dibromo(chloro)phosphine
OPENEYE Name: dibromo(chloro)phosphane
IUPAC Name: dibromo(chloro)phosphane
SYSTEMATIC NAME: bis(bromanyl)-chloranyl-phosphane
MOLECULAR FORMULA: Br2ClP
MOLECULAR WEIGHT: 226.234761
SMILES: P(Cl)(Br)Br
Structure:
CAS RN: 13540-50-6
CAS Name: 1,4-dimethyl-2-(phenylmethyl)benzene
OPENEYE Name: 2-benzyl-1,4-dimethyl-benzene
IUPAC Name: 2-benzyl-1,4-dimethylbenzene
SYSTEMATIC NAME: 1,4-dimethyl-2-(phenylmethyl)benzene
MOLECULAR FORMULA: C15H16
MOLECULAR WEIGHT: 196.28754
SMILES: CC1=CC(=C(C=C1)C)CC2=CC=CC=C2
Structure:
CAS RN: 13537-30-9
CAS Name: fluorogermane
OPENEYE Name: fluorogermane
IUPAC Name: fluorogermane
SYSTEMATIC NAME: fluoranylgermane
MOLECULAR FORMULA: FGeH3
MOLECULAR WEIGHT: 94.662223
SMILES: F[GeH3]
Structure:
CAS RN: 14929-46-5
CAS Name: fluorogermane
OPENEYE Name: fluorogermane
IUPAC Name: fluorogermane
SYSTEMATIC NAME: fluoranylgermane
MOLECULAR FORMULA: FGeH3
MOLECULAR WEIGHT: 94.662223
SMILES: F[GeH3]
Structure:
CAS RN: 13537-03-6
CAS Name: trideuteriophosphine
OPENEYE Name: trideuteriophosphane
IUPAC Name: trideuteriophosphane
SYSTEMATIC NAME: trideuteriophosphane
MOLECULAR FORMULA: H3P
MOLECULAR WEIGHT: 37.016066
SMILES: [2H]P([2H])[2H]
Structure:
CAS RN: 13536-94-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H2S
MOLECULAR WEIGHT: 36.093204
SMILES: [2H]S[2H]
Structure:
CAS RN: 13536-71-5
CAS Name: tribromo(chloro)germane
OPENEYE Name: tribromo(chloro)germane
IUPAC Name: tribromo(chloro)germane
SYSTEMATIC NAME: tris(bromanyl)-chloranyl-germane
MOLECULAR FORMULA: Br3ClGe
MOLECULAR WEIGHT: 347.805
SMILES: Cl[Ge](Br)(Br)Br
Structure:
CAS RN: 13536-48-6
CAS Name: bromo(dichloro)phosphine
OPENEYE Name: bromo(dichloro)phosphane
IUPAC Name: bromo(dichloro)phosphane
SYSTEMATIC NAME: bromanyl-bis(chloranyl)phosphane
MOLECULAR FORMULA: BrCl2P
MOLECULAR WEIGHT: 181.783761
SMILES: P(Cl)(Cl)Br
Structure:
CAS RN: 13532-77-9
CAS Name: 5-amino-2,2-dimethyl-1-pentanol
OPENEYE Name: 5-amino-2,2-dimethyl-pentan-1-ol
IUPAC Name: 5-amino-2,2-dimethylpentan-1-ol
SYSTEMATIC NAME: 5-azanyl-2,2-dimethyl-pentan-1-ol
MOLECULAR FORMULA: C7H17NO
MOLECULAR WEIGHT: 131.21598
SMILES: CC(C)(CCCN)CO
Structure:
CAS RN: 13531-82-3
CAS Name: 4-methyl-1-pentyn-3-one
OPENEYE Name: 4-methylpent-1-yn-3-one
IUPAC Name: 4-methylpent-1-yn-3-one
SYSTEMATIC NAME: 4-methylpent-1-yn-3-one
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: CC(C)C(=O)C#C
Structure:
CAS RN: 13520-79-1
CAS Name: oxotungsten tetrahydrofluoride
OPENEYE Name: oxotungsten tetrahydrofluoride
IUPAC Name: oxotungsten tetrahydrofluoride
SYSTEMATIC NAME: oxidanylidenetungsten tetrahydrofluoride
MOLECULAR FORMULA: F4H4OW
MOLECULAR WEIGHT: 279.864773
SMILES: O=[W].F.F.F.F
Structure:
CAS RN: 13520-77-9
CAS Name: oxotungsten tetrahydrobromide
OPENEYE Name: oxotungsten tetrahydrobromide
IUPAC Name: oxotungsten tetrahydrobromide
SYSTEMATIC NAME: oxidanylidenetungsten tetrahydrobromide
MOLECULAR FORMULA: Br4H4OW
MOLECULAR WEIGHT: 523.48716
SMILES: O=[W].Br.Br.Br.Br
Structure:
CAS RN: 13520-75-7
CAS Name: dioxotungsten dihydrobromide
OPENEYE Name: dioxotungsten dihydrobromide
IUPAC Name: dioxotungsten dihydrobromide
SYSTEMATIC NAME: bis(oxidanylidene)tungsten dihydrobromide
MOLECULAR FORMULA: Br2H2O2W
MOLECULAR WEIGHT: 377.66268
SMILES: O=[W]=O.Br.Br
Structure:
CAS RN: 13511-13-2
CAS Name: 1-prop-2-enylcyclohexene
OPENEYE Name: 1-allylcyclohexene
IUPAC Name: 1-prop-2-enylcyclohexene
SYSTEMATIC NAME: 1-prop-2-enylcyclohexene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C=CCC1=CCCCC1
Structure:
CAS RN: 13509-27-8
CAS Name: carbonic acid methyl phenyl ester
OPENEYE Name: methyl phenyl carbonate
IUPAC Name: methyl phenyl carbonate
SYSTEMATIC NAME: methyl phenyl carbonate
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: COC(=O)OC1=CC=CC=C1
Structure:
CAS RN: 13497-96-6
CAS Name: dichloro(fluoro)alumane
OPENEYE Name: dichloro(fluoro)alumane
IUPAC Name: dichloro(fluoro)alumane
SYSTEMATIC NAME: bis(chloranyl)-fluoranyl-alumane
MOLECULAR FORMULA: AlCl2F
MOLECULAR WEIGHT: 116.885941
SMILES: F[Al](Cl)Cl
Structure:
CAS RN: 13497-91-1
CAS Name: dichloro(dichlorophosphino)phosphine
OPENEYE Name: dichloro(dichlorophosphanyl)phosphane
IUPAC Name: dichloro(dichlorophosphanyl)phosphane
SYSTEMATIC NAME: bis(chloranyl)phosphanyl-bis(chloranyl)phosphane
MOLECULAR FORMULA: Cl4P2
MOLECULAR WEIGHT: 203.759522
SMILES: P(P(Cl)Cl)(Cl)Cl
Structure:
CAS RN: 13497-36-4
CAS Name: 2,4,6-triphenylphosphorin
OPENEYE Name: 2,4,6-triphenylphosphinine
IUPAC Name: 2,4,6-triphenylphosphinine
SYSTEMATIC NAME: 2,4,6-triphenylphosphinine
MOLECULAR FORMULA: C23H17P
MOLECULAR WEIGHT: 324.354841
SMILES: C1=CC=C(C=C1)C2=CC(=PC(=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 13487-72-4
CAS Name: 2,2-dimethyl-3-methylene-4-bicyclo[2.2.1]heptanamine
OPENEYE Name: 3,3-dimethyl-2-methylene-norbornan-1-amine
IUPAC Name: 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-4-amine
SYSTEMATIC NAME: 2,2-dimethyl-3-methylidene-bicyclo[2.2.1]heptan-4-amine
MOLECULAR FORMULA: C10H17N
MOLECULAR WEIGHT: 151.24868
SMILES: CC1(C2CCC(C2)(C1=C)N)C
Structure:
CAS RN: 13483-31-3
CAS Name: N-methyl-N-(propan-2-ylideneamino)methanamine
OPENEYE Name: N-(isopropylideneamino)-N-methyl-methanamine
IUPAC Name: N-methyl-N-(propan-2-ylideneamino)methanamine
SYSTEMATIC NAME: N-methyl-N-(propan-2-ylideneamino)methanamine
MOLECULAR FORMULA: C5H12N2
MOLECULAR WEIGHT: 100.16218
SMILES: CC(=NN(C)C)C
Structure:
CAS RN: 13482-64-9
CAS Name: chloro-[chloro(chloromethyl)phosphoryl]methane
OPENEYE Name: chloro-[chloro(chloromethyl)phosphoryl]methane
IUPAC Name: chloro-[chloro(chloromethyl)phosphoryl]methane
SYSTEMATIC NAME: chloranyl-[chloranyl(chloromethyl)phosphoryl]methane
MOLECULAR FORMULA: C2H4Cl3OP
MOLECULAR WEIGHT: 181.385321
SMILES: C(P(=O)(CCl)Cl)Cl
Structure:
CAS RN: 88331-14-0
CAS Name: acetic acid; (2S)-N-[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]-1-[(2S)-2-amino-3-(4-nitrophenyl)-1-oxopropyl]-2-pyrrolidinecarboxamide
OPENEYE Name: acetic acid; (2S)-N-[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]-1-[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
IUPAC Name: acetic acid; (2S)-N-[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-1-[(2S)-2-amino-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]-1-[(2S)-2-azanyl-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide; ethanoic acid
MOLECULAR FORMULA: C35H50N10O12
MOLECULAR WEIGHT: 802.8313
SMILES: CC(=O)O.CC(=O)O.C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)[N+](=O)[O-])N)C(=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 13475-76-8
CAS Name: 11-butyldocosane
OPENEYE Name: 11-butyldocosane
IUPAC Name: 11-butyldocosane
SYSTEMATIC NAME: 11-butyldocosane
MOLECULAR FORMULA: C26H54
MOLECULAR WEIGHT: 366.70696
SMILES: CCCCCCCCCCCC(CCCC)CCCCCCCCCC
Structure:
CAS RN: 13474-70-9
CAS Name: 4-bromobicyclo[2.2.1]heptane
OPENEYE Name: 1-bromonorbornane
IUPAC Name: 4-bromobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 4-bromanylbicyclo[2.2.1]heptane
MOLECULAR FORMULA: C7H11Br
MOLECULAR WEIGHT: 175.06624
SMILES: C1CC2(CCC1C2)Br
Structure:
CAS RN: 13471-35-7
CAS Name: dimethoxy(phenyl)borane
OPENEYE Name: dimethoxy(phenyl)borane
IUPAC Name: dimethoxy(phenyl)borane
SYSTEMATIC NAME: dimethoxy(phenyl)borane
MOLECULAR FORMULA: C8H11BO2
MOLECULAR WEIGHT: 149.98274
SMILES: B(C1=CC=CC=C1)(OC)OC
Structure:
CAS RN: 13470-19-4
CAS Name: tribromouranium
OPENEYE Name: tribromouranium
IUPAC Name: tribromouranium
SYSTEMATIC NAME: tris(bromanyl)uranium
MOLECULAR FORMULA: Br3U
MOLECULAR WEIGHT: 477.74091
SMILES: Br[U](Br)Br
Structure:
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