CAS RN: 15457-97-3
CAS Name: sodium dioxido(oxo)silane
OPENEYE Name: sodium dioxido(oxo)silane
IUPAC Name: sodium dioxido(oxo)silane
SYSTEMATIC NAME: sodium bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: NaO3Si-
MOLECULAR WEIGHT: 99.07347
SMILES: [O-][Si](=O)[O-].[Na+]
Structure:
CAS RN: 15915-98-7
CAS Name: sodium dioxido(oxo)silane
OPENEYE Name: sodium dioxido(oxo)silane
IUPAC Name: sodium dioxido(oxo)silane
SYSTEMATIC NAME: sodium bis(oxidanidyl)-oxidanylidene-silane
MOLECULAR FORMULA: NaO3Si-
MOLECULAR WEIGHT: 99.07347
SMILES: [O-][Si](=O)[O-].[Na+]
Structure:
CAS RN: 15501-85-6
CAS Name: thorium(4+) silicate
OPENEYE Name: thorium(4+) silicate
IUPAC Name: thorium(4+) silicate
SYSTEMATIC NAME: thorium(4+) silicate
MOLECULAR FORMULA: O4SiTh
MOLECULAR WEIGHT: 324.1212
SMILES: [O-][Si]([O-])([O-])[O-].[Th+4]
Structure:
CAS RN: 14438-19-8
CAS Name: (2R)-2,3-diphosphonooxypropanoic acid
OPENEYE Name: (2R)-2,3-diphosphonooxypropanoic acid
IUPAC Name: (2R)-2,3-diphosphonooxypropanoic acid
SYSTEMATIC NAME: (2R)-2,3-diphosphonooxypropanoic acid
MOLECULAR FORMULA: C3H8O10P2
MOLECULAR WEIGHT: 266.037142
SMILES: C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O
Structure:
CAS RN: 2510-23-8
CAS Name: 3-ethynylpyridine
OPENEYE Name: 3-ethynylpyridine
IUPAC Name: 3-ethynylpyridine
SYSTEMATIC NAME: 3-ethynylpyridine
MOLECULAR FORMULA: C7H5N
MOLECULAR WEIGHT: 103.1213
SMILES: C#CC1=CN=CC=C1
Structure:
CAS RN: 2549-50-0
CAS Name: (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
OPENEYE Name: (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxy-phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
IUPAC Name: (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
SYSTEMATIC NAME: (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[4-methoxy-2-[(2S)-2-methyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
MOLECULAR FORMULA: C31H33NO7
MOLECULAR WEIGHT: 531.59622
SMILES: CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)C[C@H](C)C(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 6640-93-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H85NO21
MOLECULAR WEIGHT: 1048.2147
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O
Structure:
CAS RN: 6640-84-2
CAS Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 1017798-01-4
CAS Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 189033-11-2
CAS Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 61460-24-0
CAS Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 71420-40-1
CAS Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O
Structure:
CAS RN: 6639-66-3
CAS Name: (2R,3R,4S,5R)-2-[6-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]butylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[6-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[6-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[4-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C24H32N10O8
MOLECULAR WEIGHT: 588.57308
SMILES: C1=NC2=C(C(=N1)NCCCCNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N=CN2[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
Structure:
CAS RN: 60687-65-2
CAS Name: (2R,3R,4S,5R)-2-[6-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]butylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[6-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[6-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[4-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]butylamino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C24H32N10O8
MOLECULAR WEIGHT: 588.57308
SMILES: C1=NC2=C(C(=N1)NCCCCNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N=CN2[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O
Structure:
CAS RN: 704-76-7
CAS Name: [(1R)-1-aminoethyl]phosphonic acid
OPENEYE Name: [(1R)-1-aminoethyl]phosphonic acid
IUPAC Name: [(1R)-1-aminoethyl]phosphonic acid
SYSTEMATIC NAME: [(1R)-1-azanylethyl]phosphonic acid
MOLECULAR FORMULA: C2H8NO3P
MOLECULAR WEIGHT: 125.063581
SMILES: C[C@H](N)P(=O)(O)O
Structure:
CAS RN: 6323-97-3
CAS Name: [(1R)-1-aminoethyl]phosphonic acid
OPENEYE Name: [(1R)-1-aminoethyl]phosphonic acid
IUPAC Name: [(1R)-1-aminoethyl]phosphonic acid
SYSTEMATIC NAME: [(1R)-1-azanylethyl]phosphonic acid
MOLECULAR FORMULA: C2H8NO3P
MOLECULAR WEIGHT: 125.063581
SMILES: C[C@H](N)P(=O)(O)O
Structure:
CAS RN: 60687-36-7
CAS Name: [(1R)-1-aminoethyl]phosphonic acid
OPENEYE Name: [(1R)-1-aminoethyl]phosphonic acid
IUPAC Name: [(1R)-1-aminoethyl]phosphonic acid
SYSTEMATIC NAME: [(1R)-1-azanylethyl]phosphonic acid
MOLECULAR FORMULA: C2H8NO3P
MOLECULAR WEIGHT: 125.063581
SMILES: C[C@H](N)P(=O)(O)O
Structure:
CAS RN: 6639-22-1
CAS Name: acetic acid [(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] ester
OPENEYE Name: [(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
IUPAC Name: [(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
SYSTEMATIC NAME: [(5S,5aS,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] ethanoate
MOLECULAR FORMULA: C24H24O9
MOLECULAR WEIGHT: 456.44196
SMILES: CC(=O)O[C@H]1[C@@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 6638-80-8
CAS Name: 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetic acid
OPENEYE Name: 2-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)acetic acid
IUPAC Name: 2-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)acetic acid
SYSTEMATIC NAME: 2-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)ethanoic acid
MOLECULAR FORMULA: C8H9NO4
MOLECULAR WEIGHT: 183.16136
SMILES: CC1=C(C(=O)C=CN1CC(=O)O)O
Structure:
CAS RN: 6635-65-0
CAS Name: (1R,3R)-7-[5-hydroxy-2-(hydroxymethyl)-4-methoxy-1-naphthalenyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
OPENEYE Name: (1R,3R)-7-[5-hydroxy-2-(hydroxymethyl)-4-methoxy-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
IUPAC Name: (1R,3R)-7-[5-hydroxy-2-(hydroxymethyl)-4-methoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SYSTEMATIC NAME: (1R,3R)-7-[2-(hydroxymethyl)-4-methoxy-5-oxidanyl-naphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: C[C@@H]1CC2=C([C@H](N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3CO)OC)O)O
Structure:
CAS RN: 6635-63-8
CAS Name: 2-(1-naphthalenyloxy)acetaldehyde
OPENEYE Name: 2-(1-naphthyloxy)acetaldehyde
IUPAC Name: 2-naphthalen-1-yloxyacetaldehyde
SYSTEMATIC NAME: 2-naphthalen-1-yloxyethanal
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1=CC=C2C(=C1)C=CC=C2OCC=O
Structure:
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