CAS RN: 61005-22-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H35NO8
MOLECULAR WEIGHT: 477.5473
SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 25333-72-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H27NO8
MOLECULAR WEIGHT: 481.49448
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
Structure:
CAS RN: 124-90-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22ClNO4
MOLECULAR WEIGHT: 351.82458
SMILES: CN1CC[C@]23C4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl
Structure:
CAS RN: 14119-09-6
CAS Name: gallium-67
OPENEYE Name: gallium-67
IUPAC Name: gallium-67
SYSTEMATIC NAME: gallium-67
MOLECULAR FORMULA: Ga
MOLECULAR WEIGHT: 66.928205
SMILES: [67Ga]
Structure:
CAS RN: 30959-09-2
CAS Name: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one; oxalic acid
OPENEYE Name: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one; oxalic acid
IUPAC Name: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one; oxalic acid
SYSTEMATIC NAME: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one; ethanedioic acid
MOLECULAR FORMULA: C30H38N2O8
MOLECULAR WEIGHT: 554.63132
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC.C(=O)(C(=O)O)O
Structure:
CAS RN: 28752-68-3
CAS Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
OPENEYE Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazono]-1,3-benzothiazole-6-sulfonic acid
IUPAC Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
SYSTEMATIC NAME: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
MOLECULAR FORMULA: C18H18N4O6S4
MOLECULAR WEIGHT: 514.61872
SMILES: CCN\1C2=C(C=C(C=C2)S(=O)(=O)O)S/C1=N/N=C\3/N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC
Structure:
CAS RN: 27267-71-6
CAS Name: (2S)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-7-spiro[3,4-dihydropyrano[4,3-g][1]benzopyran-2,2'-3H-benzo[f]benzofuran]carboxylic acid methyl ester
OPENEYE Name: methyl (2S)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f]benzofuran]-7-carboxylate
IUPAC Name: methyl (2S)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
SYSTEMATIC NAME: methyl (2S)-7'-methoxy-4',9',10-tris(oxidanyl)-5',8',9-tris(oxidanylidene)spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
MOLECULAR FORMULA: C26H18O12
MOLECULAR WEIGHT: 522.41392
SMILES: COC1=CC(=O)C2=C(C1=O)C(=C3C(=C2O)C[C@@]4(O3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O
Structure:
CAS RN: 27267-70-5
CAS Name: (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxo-7-spiro[3,4-dihydropyrano[4,3-g][1]benzopyran-2,2'-3H-benzo[f]benzofuran]carboxylic acid methyl ester
OPENEYE Name: methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f]benzofuran]-7-carboxylate
IUPAC Name: methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
SYSTEMATIC NAME: methyl (2S)-5',7'-dimethoxy-8',10-bis(oxidanyl)-4',9,9'-tris(oxidanylidene)spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
MOLECULAR FORMULA: C27H20O12
MOLECULAR WEIGHT: 536.4405
SMILES: COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)O[C@]4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC
Structure:
CAS RN: 1200-55-1
CAS Name: [(E)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium; methyl sulfate
OPENEYE Name: [(E)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium; methyl sulfate
IUPAC Name: [(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium; methyl sulfate
SYSTEMATIC NAME: [(E)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium; methyl sulfate
MOLECULAR FORMULA: C8H12N2O5S
MOLECULAR WEIGHT: 248.25628
SMILES: CN\1C=CC=C/C1=C\[NH+]=O.COS(=O)(=O)[O-]
Structure:
CAS RN: 154-97-2
CAS Name: methanesulfonate; [(E)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium
OPENEYE Name: methanesulfonate; [(E)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium
IUPAC Name: methanesulfonate; [(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium
SYSTEMATIC NAME: methanesulfonate; [(E)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium
MOLECULAR FORMULA: C8H12N2O4S
MOLECULAR WEIGHT: 232.25688
SMILES: CN\1C=CC=C/C1=C\[NH+]=O.CS(=O)(=O)[O-]
Structure:
CAS RN: 94-63-3
CAS Name: [(E)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium iodide
OPENEYE Name: [(E)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium iodide
IUPAC Name: [(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium iodide
SYSTEMATIC NAME: [(E)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium iodide
MOLECULAR FORMULA: C7H9IN2O
MOLECULAR WEIGHT: 264.06363
SMILES: CN\1C=CC=C/C1=C\[NH+]=O.[I-]
Structure:
CAS RN: 14960-80-6
CAS Name: (2E,5E)-3-methoxy-5-(2-pyrrolylidene)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
OPENEYE Name: (2E,5E)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrole
IUPAC Name: (2E,5E)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SYSTEMATIC NAME: (2E,5E)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
MOLECULAR FORMULA: C25H35N3O
MOLECULAR WEIGHT: 393.5649
SMILES: CCCCCCCCCCCC1=CC=C(N1)/C=C/2\C(=C/C(=C\3/C=CC=N3)/N2)OC
Structure:
CAS RN: 7013-09-4
CAS Name: (Z)-2-diazonio-1-[(1-methoxy-1-oxohexan-2-yl)amino]ethenolate
OPENEYE Name: (Z)-2-diazonio-1-(1-methoxycarbonylpentylamino)ethenolate
IUPAC Name: (Z)-2-diazonio-1-[(1-methoxy-1-oxohexan-2-yl)amino]ethenolate
SYSTEMATIC NAME: (Z)-2-diazonio-1-[(1-methoxy-1-oxidanylidene-hexan-2-yl)amino]ethenolate
MOLECULAR FORMULA: C9H15N3O3
MOLECULAR WEIGHT: 213.2337
SMILES: CCCCC(C(=O)OC)N/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 4773-96-0
CAS Name: 1,3,6,7-tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-9-xanthenone
OPENEYE Name: 1,3,6,7-tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
IUPAC Name: 1,3,6,7-tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
SYSTEMATIC NAME: 2-[(3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C19H18O11
MOLECULAR WEIGHT: 422.33962
SMILES: C1=C2C(=CC(=C1O)O)OC3=CC(=C(C(=C3C2=O)O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 99331-60-9
CAS Name: 1,3,6,7-tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-9-xanthenone
OPENEYE Name: 1,3,6,7-tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
IUPAC Name: 1,3,6,7-tetrahydroxy-2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
SYSTEMATIC NAME: 2-[(3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C19H18O11
MOLECULAR WEIGHT: 422.33962
SMILES: C1=C2C(=CC(=C1O)O)OC3=CC(=C(C(=C3C2=O)O)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 3264-88-8
CAS Name: 3-mercapto-3-methyl-2-[[(E)-[5-oxo-2-(phenylmethyl)-4-oxazolylidene]methyl]amino]butanoic acid
OPENEYE Name: 2-[[(E)-(2-benzyl-5-oxo-oxazol-4-ylidene)methyl]amino]-3-methyl-3-sulfanyl-butanoic acid
IUPAC Name: 2-[[(E)-(2-benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl]amino]-3-methyl-3-sulfanylbutanoic acid
SYSTEMATIC NAME: 3-methyl-2-[[(E)-[5-oxidanylidene-2-(phenylmethyl)-1,3-oxazol-4-ylidene]methyl]amino]-3-sulfanyl-butanoic acid
MOLECULAR FORMULA: C16H18N2O4S
MOLECULAR WEIGHT: 334.39012
SMILES: CC(C)(C(C(=O)O)N/C=C/1\C(=O)OC(=N1)CC2=CC=CC=C2)S
Structure:
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