CAS RN: 92059-97-7
CAS Name: 2-bromo-N-(4-hydroxyphenyl)benzamide
OPENEYE Name: 2-bromo-N-(4-hydroxyphenyl)benzamide
IUPAC Name: 2-bromo-N-(4-hydroxyphenyl)benzamide
SYSTEMATIC NAME: 2-bromanyl-N-(4-hydroxyphenyl)benzamide
MOLECULAR FORMULA: C13H10BrNO2
MOLECULAR WEIGHT: 292.128
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)Br
Structure:
CAS RN: 62667-25-8
CAS Name: 1,3-benzoxazole-2-carboxaldehyde
OPENEYE Name: 1,3-benzoxazole-2-carbaldehyde
IUPAC Name: 1,3-benzoxazole-2-carbaldehyde
SYSTEMATIC NAME: 1,3-benzoxazole-2-carbaldehyde
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C1=CC=C2C(=C1)N=C(O2)C=O
Structure:
CAS RN: 4819-53-8
CAS Name: 4-[([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazono)methyl]benzoate
IUPAC Name: methyl 4-[([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzoate
SYSTEMATIC NAME: methyl 4-[([1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazinylidene)methyl]benzoate
MOLECULAR FORMULA: C14H12N6O2
MOLECULAR WEIGHT: 296.28408
SMILES: COC(=O)C1=CC=C(C=C1)C=NNC2=NN3C=NN=C3C=C2
Structure:
CAS RN: 7659-95-2
CAS Name: 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3-dihydroindol-1-ium-2-carboxylate
OPENEYE Name: 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-ium-2-carboxylate
IUPAC Name: 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
SYSTEMATIC NAME: 1-[2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-2,3-dihydroindol-1-ium-2-carboxylate
MOLECULAR FORMULA: C24H26N2O13
MOLECULAR WEIGHT: 550.46884
SMILES: C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O
Structure:
CAS RN: 4083-50-5
CAS Name: N-(3-chloro-7-nitro-9-oxo-2-fluorenyl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(3-chloro-7-nitro-9-oxo-fluoren-2-yl)-2,2,2-trifluoro-acetamide
IUPAC Name: N-(3-chloro-7-nitro-9-oxofluoren-2-yl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-(3-chloranyl-7-nitro-9-oxidanylidene-fluoren-2-yl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C15H6ClF3N2O4
MOLECULAR WEIGHT: 370.66735
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=C(C=C23)Cl)NC(=O)C(F)(F)F
Structure:
CAS RN: 90-74-4
CAS Name: 6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]oxane-2,3,4,5-tetrol
OPENEYE Name: 6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: 6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: 6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C12H22O10
MOLECULAR WEIGHT: 326.29708
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O
Structure:
CAS RN: 13146-23-1
CAS Name: copper(1+); ethynylbenzene
OPENEYE Name: cuprous ethynylbenzene
IUPAC Name: copper(1+); ethynylbenzene
SYSTEMATIC NAME: copper(1+); ethynylbenzene
MOLECULAR FORMULA: C8H5Cu
MOLECULAR WEIGHT: 164.6713
SMILES: [C-]#CC1=CC=CC=C1.[Cu+]
Structure:
CAS RN: 145224-94-8
CAS Name: 2-(4-morpholin-4-iumyl)ethanesulfonate
OPENEYE Name: 2-morpholin-4-ium-4-ylethanesulfonate
IUPAC Name: 2-morpholin-4-ium-4-ylethanesulfonate
SYSTEMATIC NAME: 2-morpholin-4-ium-4-ylethanesulfonate
MOLECULAR FORMULA: C6H13NO4S
MOLECULAR WEIGHT: 195.23672
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
Structure:
CAS RN: 95-43-2
CAS Name: oxolane-2,3,4-triol
OPENEYE Name: tetrahydrofuran-2,3,4-triol
IUPAC Name: oxolane-2,3,4-triol
SYSTEMATIC NAME: oxolane-2,3,4-triol
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C1C(C(C(O1)O)O)O
Structure:
CAS RN: 95-44-3
CAS Name: oxolane-2,3,4-triol
OPENEYE Name: tetrahydrofuran-2,3,4-triol
IUPAC Name: oxolane-2,3,4-triol
SYSTEMATIC NAME: oxolane-2,3,4-triol
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C1C(C(C(O1)O)O)O
Structure:
CAS RN: 6221-41-6
CAS Name: N-(3,5-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
OPENEYE Name: N-(3,5-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methyl-anilino)acetamide
IUPAC Name: N-(3,5-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(4-methylphenyl)amino]ethanamide
MOLECULAR FORMULA: C25H28N2O4S
MOLECULAR WEIGHT: 452.56582
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=C(C=C3)C
Structure:
CAS RN: 9037-22-3
CAS Name: 2-[[6-[[4,5-dihydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahy
IUPAC Name: 2-[6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[[6-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C30H52O26
MOLECULAR WEIGHT: 828.71828
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC4C(OC(C(C4O)O)O)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)CO)O)O)O)O
Structure:
CAS RN: 9005-79-2
CAS Name: 2-[[4,5-dihydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[[6-[2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C24H42O21
MOLECULAR WEIGHT: 666.57768
SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)O)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 27590-75-6
CAS Name: 5-chloro-2-propoxybenzaldehyde
OPENEYE Name: 5-chloro-2-propoxy-benzaldehyde
IUPAC Name: 5-chloro-2-propoxybenzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-propoxy-benzaldehyde
MOLECULAR FORMULA: C10H11ClO2
MOLECULAR WEIGHT: 198.64614
SMILES: CCCOC1=C(C=C(C=C1)Cl)C=O
Structure:
CAS RN: 153821-50-2
CAS Name: 4-[[2-[[2-acetamido-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-N-[1-[[1-amino-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
OPENEYE Name: 4-[[2-[[2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-N-[1-[[2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]propyl]-3-hydroxy-6-methyl-heptanamide
IUPAC Name: 4-[[2-[(2-acetamido-3-naphthalen-1-ylpropanoyl)amino]-3-methylbutanoyl]amino]-N-[1-[(1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl)amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
SYSTEMATIC NAME: 4-[[2-[(2-acetamido-3-naphthalen-1-yl-propanoyl)amino]-3-methyl-butanoyl]amino]-N-[1-[(1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-butan-2-yl]-6-methyl-3-oxidanyl-heptanamide
MOLECULAR FORMULA: C45H58N6O7
MOLECULAR WEIGHT: 794.97802
SMILES: CCC(C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)N)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=CC4=CC=CC=C43)NC(=O)C)O
Structure:
CAS RN: 696-13-9
CAS Name: 1-methyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 1-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 1-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 1-methyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C5H8N2OS
MOLECULAR WEIGHT: 144.19482
SMILES: CN1CCC(=O)NC1=S
Structure:
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