CAS RN: 94159-19-0
CAS Name: decanedioic acid; 1,3,5-triazine-2,4,6-triamine
OPENEYE Name: decanedioic acid; 1,3,5-triazine-2,4,6-triamine
IUPAC Name: decanedioic acid; 1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: decanedioic acid; 1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C16H30N12O4
MOLECULAR WEIGHT: 454.4874
SMILES: C(CCCCC(=O)O)CCCC(=O)O.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N
CAS RN: 94313-85-6
CAS Name: 2-tert-butylphenolate; hexadecyl-dimethyl-(phenylmethyl)ammonium
OPENEYE Name: benzyl-hexadecyl-dimethyl-ammonium; 2-tert-butylphenolate
IUPAC Name: benzyl-hexadecyl-dimethylazanium; 2-tert-butylphenolate
SYSTEMATIC NAME: 2-tert-butylphenolate; hexadecyl-dimethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C35H59NO
MOLECULAR WEIGHT: 509.84906
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)(C)C1=CC=CC=C1[O-]
CAS RN: 93777-51-6
CAS Name: dodecanoic acid; (Z)-9-octadecen-1-amine
OPENEYE Name: dodecanoic acid; (Z)-octadec-9-en-1-amine
IUPAC Name: dodecanoic acid; (Z)-octadec-9-en-1-amine
SYSTEMATIC NAME: dodecanoic acid; (Z)-octadec-9-en-1-amine
MOLECULAR FORMULA: C30H61NO2
MOLECULAR WEIGHT: 467.81084
SMILES: CCCCCCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCCN
CAS RN: 15132-05-5
CAS Name: N-[ethyl(propan-2-yloxy)phosphoryl]oxy-1-(2-pyridinyl)ethanimine
OPENEYE Name: N-[ethyl(isopropoxy)phosphoryl]oxy-1-(2-pyridyl)ethanimine
IUPAC Name: N-[ethyl(propan-2-yloxy)phosphoryl]oxy-1-pyridin-2-ylethanimine
SYSTEMATIC NAME: N-[ethyl(propan-2-yloxy)phosphoryl]oxy-1-pyridin-2-yl-ethanimine
MOLECULAR FORMULA: C12H19N2O3P
MOLECULAR WEIGHT: 270.264621
SMILES: CCP(=O)(OC(C)C)O/N=C(/C)\C1=CC=CC=N1
CAS RN: 180694-97-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H23ClN2O3
MOLECULAR WEIGHT: 410.89332
SMILES: C/C=C/1\C2CC3=C(C1(CC(=C2)C)N/C=C\4/C=C(C=C(C4=O)OC)Cl)C=CC(=O)N3
CAS RN: 84110-45-2
CAS Name: guanidine; 4-mercapto-1-butanesulfonic acid
OPENEYE Name: guanidine; 4-sulfanylbutane-1-sulfonic acid
IUPAC Name: guanidine; 4-sulfanylbutane-1-sulfonic acid
SYSTEMATIC NAME: guanidine; 4-sulfanylbutane-1-sulfonic acid
MOLECULAR FORMULA: C5H15N3O3S2
MOLECULAR WEIGHT: 229.3209
SMILES: C(CCS(=O)(=O)O)CS.C(=N)(N)N
CAS RN: 73003-73-3
CAS Name: 2-aminoethanol; sulfuric acid tridecyl ester
OPENEYE Name: 2-aminoethanol; tridecyl hydrogen sulfate
IUPAC Name: 2-aminoethanol; tridecyl hydrogen sulfate
SYSTEMATIC NAME: 2-azanylethanol; tridecyl hydrogen sulfate
MOLECULAR FORMULA: C15H35NO5S
MOLECULAR WEIGHT: 341.5071
SMILES: CCCCCCCCCCCCCOS(=O)(=O)O.C(CO)N
CAS RN: 72379-44-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H20ClN2NaO6S
MOLECULAR WEIGHT: 546.95457
SMILES: CCOC(=O)C1=C2C3=CC=CC=C3CC4=C(C=C(C(=C42)NC1=O)C)NC5=C(C=C(C=C5)Cl)S(=O)(=O)[O-].[Na+]
CAS RN: 112965-15-8
CAS Name: (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethylundeca-2,4-dienoic acid methyl ester
OPENEYE Name: methyl (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate
IUPAC Name: methyl (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoate
SYSTEMATIC NAME: methyl (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate
MOLECULAR FORMULA: C19H30O5
MOLECULAR WEIGHT: 338.4385
SMILES: CC(CCCC[C@@H]1[C@H](C(=O)O1)CO)C/C(=C/C(=C/C(=O)OC)/C)/C
CAS RN: 34668-59-2
CAS Name: (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethylundeca-2,4-dienoic acid methyl ester
OPENEYE Name: methyl (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate
IUPAC Name: methyl (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoate
SYSTEMATIC NAME: methyl (2E,4E)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate
MOLECULAR FORMULA: C19H30O5
MOLECULAR WEIGHT: 338.4385
SMILES: CC(CCCC[C@@H]1[C@H](C(=O)O1)CO)C/C(=C/C(=C/C(=O)OC)/C)/C
CAS RN: 20174-73-6
CAS Name: heptadecanoate; iron(3+)
OPENEYE Name: ferric heptadecanoate
IUPAC Name: heptadecanoate; iron(3+)
SYSTEMATIC NAME: heptadecanoate; iron(3+)
MOLECULAR FORMULA: C17H33FeO2+2
MOLECULAR WEIGHT: 325.28772
SMILES: CCCCCCCCCCCCCCCCC(=O)[O-].[Fe+3]
CAS RN: 71735-19-8
CAS Name: 1-amino-2-propanol; 2-butan-2-yl-4,6-dinitrophenol
OPENEYE Name: 1-aminopropan-2-ol; 2,4-dinitro-6-sec-butyl-phenol
IUPAC Name: 1-aminopropan-2-ol; 2-butan-2-yl-4,6-dinitrophenol
SYSTEMATIC NAME: 1-azanylpropan-2-ol; 2-butan-2-yl-4,6-dinitro-phenol
MOLECULAR FORMULA: C13H21N3O6
MOLECULAR WEIGHT: 315.32234
SMILES: CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CC(CN)O
CAS RN: 76622-74-7
CAS Name: potassium 2-[methyl-[(Z)-1-oxooctadec-9-enyl]amino]acetate
OPENEYE Name: potassium 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate
IUPAC Name: potassium 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate
SYSTEMATIC NAME: potassium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanoate
MOLECULAR FORMULA: C21H38KNO3
MOLECULAR WEIGHT: 391.62962
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)[O-].[K+]
CAS RN: 100021-85-0
CAS Name: ethane-1,2-diamine; hexadecanoic acid; phosphoric acid
OPENEYE Name: ethane-1,2-diamine; palmitic acid; phosphoric acid
IUPAC Name: ethane-1,2-diamine; hexadecanoic acid; phosphoric acid
SYSTEMATIC NAME: ethane-1,2-diamine; hexadecanoic acid; phosphoric acid
MOLECULAR FORMULA: C18H43N2O6P
MOLECULAR WEIGHT: 414.517581
SMILES: CCCCCCCCCCCCCCCC(=O)O.C(CN)N.OP(=O)(O)O
CAS RN: 94089-00-6
CAS Name: sodium (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
OPENEYE Name: sodium (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: sodium (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: sodium (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C15H15N2NaO6S2
MOLECULAR WEIGHT: 406.40917
SMILES: CO[C@]1([C@@H]2N(C1=O)C(=C(CS2)CO)C(=O)[O-])NC(=O)CC3=CC=CS3.[Na+]
CAS RN: 19043-98-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)OC16CCC(CO6)C
CAS RN: 47450-63-5
CAS Name: (2E)-3-methyl-2-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide
OPENEYE Name: (2E)-3-methyl-2-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-1,3-benzothiazole iodide
IUPAC Name: (2E)-3-methyl-2-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2E)-3-methyl-2-[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide
MOLECULAR FORMULA: C21H21IN2S2
MOLECULAR WEIGHT: 492.43931
SMILES: CC/C(=C/C1=[N+](C2=CC=CC=C2S1)C)/C=C/3\N(C4=CC=CC=C4S3)C.[I-]
CAS RN: 83929-49-1
CAS Name: sodium 5-[[(4-aminophenyl)-oxomethyl]amino]-4-hydroxy-7-sulfo-2-naphthalenesulfonate
OPENEYE Name: sodium 5-[(4-aminobenzoyl)amino]-4-hydroxy-7-sulfo-naphthalene-2-sulfonate
IUPAC Name: sodium 5-[(4-aminobenzoyl)amino]-4-hydroxy-7-sulfonaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium 5-[(4-aminophenyl)carbonylamino]-4-oxidanyl-7-sulfo-naphthalene-2-sulfonate
MOLECULAR FORMULA: C17H13N2NaO8S2
MOLECULAR WEIGHT: 460.41349
SMILES: C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)[O-])N.[Na+]
CAS RN: 83913-07-9
CAS Name: phosphoric acid; 1,3,5-triazine-2,4,6-triamine
OPENEYE Name: phosphoric acid; 1,3,5-triazine-2,4,6-triamine
IUPAC Name: phosphoric acid; 1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: phosphoric acid; 1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C9H21N18O4P
MOLECULAR WEIGHT: 476.355001
SMILES: C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.C1(=NC(=NC(=N1)N)N)N.OP(=O)(O)O
CAS RN: 193561-59-0
CAS Name: acetic acid (2,6-dimethylphenyl) ester; 2-hydroxybenzoic acid
OPENEYE Name: (2,6-dimethylphenyl) acetate; 2-hydroxybenzoic acid
IUPAC Name: (2,6-dimethylphenyl) acetate; 2-hydroxybenzoic acid
SYSTEMATIC NAME: (2,6-dimethylphenyl) ethanoate; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C17H18O5
MOLECULAR WEIGHT: 302.32182
SMILES: CC1=C(C(=CC=C1)C)OC(=O)C.C1=CC=C(C(=C1)C(=O)O)O
CAS RN: 113889-23-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CCCC(=O)OC1C=CC2C1C3CCC2C3
CAS RN: 147630-09-9
CAS Name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-1-cyclohexanol; N-(4-hydroxyphenyl)acetamide
OPENEYE Name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol; N-(4-hydroxyphenyl)acetamide
IUPAC Name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol; N-(4-hydroxyphenyl)acetamide
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol; N-(4-hydroxyphenyl)ethanamide
MOLECULAR FORMULA: C24H34N2O4
MOLECULAR WEIGHT: 414.53776
SMILES: CC(=O)NC1=CC=C(C=C1)O.CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
CAS RN: 83763-64-8
CAS Name: tetrasodium (6Z)-4-benzamido-6-[[5-[[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-sulfonato-2-naphthalenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate
OPENEYE Name: tetrasodium (6Z)-4-benzamido-6-[[5-[[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-sulfonato-2-naphthyl]hydrazono]-5-oxo-naphthalene-1,7-disulfonate
IUPAC Name: tetrasodium (6Z)-4-benzamido-6-[[5-[[[4-fluoro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]methyl]-1-sulfonatonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate
SYSTEMATIC NAME: tetrasodium (6Z)-4-benzamido-6-[[5-[[[4-fluoranyl-6-[(2-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]-1-sulfonato-naphthalen-2-yl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,7-disulfonate
MOLECULAR FORMULA: C37H23FN8Na4O14S4
MOLECULAR WEIGHT: 1042.841203
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C5=C(C=C4)C(=CC=C5)CNC6=NC(=NC(=N6)NC7=CC=CC=C7S(=O)(=O)[O-])F)S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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