CAS RN: 115-25-3
CAS Name: 5-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-3H-pyridin-4-yl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-3H-pyridin-4-yl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-3H-pyridin-4-yl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-3H-pyridin-4-yl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C15H27N2O4Si
MOLECULAR WEIGHT: 327.47138
SMILES: CC1(CC(=CC(N1[O])(C)C)[Si]23OCCN(CCO2)CCO3)C
Structure:
CAS RN: 105386-86-5
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(1-naphthalenylmethyl)-3-(2-oxolanyl)propanoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: citric acid; 2-(diethylamino)ethyl 2-(1-naphthylmethyl)-3-tetrahydrofuran-2-yl-propanoate
IUPAC Name: 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C30H41NO10
MOLECULAR WEIGHT: 575.64724
SMILES: CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 115236-65-2
CAS Name: (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chroman-4-one
IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2R,3R)-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: CC(=CCC1=C(C=C2C(=C1O)C(=O)[C@@H]([C@H](O2)C3=CC=C(C=C3)O)O)O)C
Structure:
CAS RN: 115217-60-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H47NO13
MOLECULAR WEIGHT: 809.85358
SMILES: CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C
Structure:
CAS RN: 115175-22-9
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-chlorophenoxy)acetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-chlorophenoxy)acetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-chlorophenoxy)acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-chloranylphenoxy)ethanoic acid
MOLECULAR FORMULA: C14H22ClNO6
MOLECULAR WEIGHT: 335.78058
SMILES: C1=CC=C(C(=C1)OCC(=O)O)Cl.C(CO)N(CCO)CCO
Structure:
CAS RN: 1151-74-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methoxyphenoxy)acetic acid
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methoxyphenoxy)acetic acid
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(2-methoxyphenoxy)ethanoic acid
MOLECULAR FORMULA: C15H25NO7
MOLECULAR WEIGHT: 331.3615
SMILES: COC1=CC=CC=C1OCC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 115160-16-2
CAS Name: (1R,3R)-5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methyl-4-imidazolyl]thio]-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (1R,3R)-5-[5-[(2S)-2-amino-2-carboxy-ethyl]-1-methyl-imidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC Name: (1R,3R)-5-[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (1R,3R)-5-[5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-1-methyl-imidazol-4-yl]sulfanyl-1-[(4-hydroxyphenyl)methyl]-6,8-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C24H26N4O7S
MOLECULAR WEIGHT: 514.55084
SMILES: CN1C=NC(=C1C[C@@H](C(=O)O)N)SC2=C(C=C(C3=C2C[C@@H](N[C@@H]3CC4=CC=C(C=C4)O)C(=O)O)O)O
Structure:
CAS RN: 105372-70-1
CAS Name: (1R,3R)-5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methyl-4-imidazolyl]thio]-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (1R,3R)-5-[5-[(2S)-2-amino-2-carboxy-ethyl]-1-methyl-imidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC Name: (1R,3R)-5-[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]sulfanyl-6,8-dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (1R,3R)-5-[5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-1-methyl-imidazol-4-yl]sulfanyl-1-[(4-hydroxyphenyl)methyl]-6,8-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C24H26N4O7S
MOLECULAR WEIGHT: 514.55084
SMILES: CN1C=NC(=C1C[C@@H](C(=O)O)N)SC2=C(C=C(C3=C2C[C@@H](N[C@@H]3CC4=CC=C(C=C4)O)C(=O)O)O)O
Structure:
CAS RN: 1150-59-0
CAS Name: 4-(4-chloroanilino)-6-(4-chlorophenyl)imino-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-(4-chloroanilino)-6-(4-chlorophenyl)imino-cyclohexa-2,4-dien-1-one
IUPAC Name: 4-(4-chloroanilino)-6-(4-chlorophenyl)iminocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-[(4-chlorophenyl)amino]-6-(4-chlorophenyl)imino-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H12Cl2N2O
MOLECULAR WEIGHT: 343.20668
SMILES: C1=CC(=CC=C1NC2=CC(=NC3=CC=C(C=C3)Cl)C(=O)C=C2)Cl
Structure:
CAS RN: 115044-39-8
CAS Name: N1-(4-chlorophenyl)-3,6-bis[(4-chlorophenyl)imino]cyclohexa-1,4-diene-1,4-diamine
OPENEYE Name: N1-(4-chlorophenyl)-3,6-bis[(4-chlorophenyl)imino]cyclohexa-1,4-diene-1,4-diamine
IUPAC Name: 1-N-(4-chlorophenyl)-3,6-bis[(4-chlorophenyl)imino]cyclohexa-1,4-diene-1,4-diamine
SYSTEMATIC NAME: N1-(4-chlorophenyl)-3,6-bis[(4-chlorophenyl)imino]cyclohexa-1,4-diene-1,4-diamine
MOLECULAR FORMULA: C24H17Cl3N4
MOLECULAR WEIGHT: 467.77758
SMILES: C1=CC(=CC=C1NC2=CC(=NC3=CC=C(C=C3)Cl)C(=CC2=NC4=CC=C(C=C4)Cl)N)Cl
Structure:
CAS RN: 115043-86-2
CAS Name: 2,5-bis(4-chloroanilino)-4-(4-chlorophenyl)imino-1-cyclohexa-2,5-dienone
OPENEYE Name: 2,5-bis(4-chloroanilino)-4-(4-chlorophenyl)imino-cyclohexa-2,5-dien-1-one
IUPAC Name: 2,5-bis(4-chloroanilino)-4-(4-chlorophenyl)iminocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,5-bis[(4-chlorophenyl)amino]-4-(4-chlorophenyl)imino-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C24H16Cl3N3O
MOLECULAR WEIGHT: 468.76234
SMILES: C1=CC(=CC=C1NC2=CC(=NC3=CC=C(C=C3)Cl)C(=CC2=O)NC4=CC=C(C=C4)Cl)Cl
Structure:
CAS RN: 115015-97-9
CAS Name: (4R)-1-methyl-4-[(1R)-1-methyl-2-methylenecyclopentyl]-4-(tritiomethyl)cyclohexene
OPENEYE Name: (4R)-1-methyl-4-[(1R)-1-methyl-2-methylene-cyclopentyl]-4-(tritiomethyl)cyclohexene
IUPAC Name: (4R)-1-methyl-4-[(1R)-1-methyl-2-methylidenecyclopentyl]-4-(tritiomethyl)cyclohexene
SYSTEMATIC NAME: (4R)-1-methyl-4-[(1R)-1-methyl-2-methylidene-cyclopentyl]-4-(tritiomethyl)cyclohexene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 206.359169
SMILES: [3H]C[C@]1(CCC(=CC1)C)[C@@]2(CCCC2=C)C
Structure:
CAS RN: 1149-65-1
CAS Name: [4-methyl-1-(1-methyl-2-methylenecyclopentyl)-1-cyclohex-3-enyl]-tritiomethanol
OPENEYE Name: [4-methyl-1-(1-methyl-2-methylene-cyclopentyl)cyclohex-3-en-1-yl]-tritio-methanol
IUPAC Name: [4-methyl-1-(1-methyl-2-methylidenecyclopentyl)cyclohex-3-en-1-yl]-tritiomethanol
SYSTEMATIC NAME: [4-methyl-1-(1-methyl-2-methylidene-cyclopentyl)cyclohex-3-en-1-yl]-tritio-methanol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 222.358569
SMILES: [3H]C(C1(CCC(=CC1)C)C2(CCCC2=C)C)O
Structure:
CAS RN: 1149-42-4
CAS Name: (1R)-4-methyl-1-[(1S)-1-methyl-2-methylenecyclopentyl]-1-cyclohex-3-enecarboxylic acid
OPENEYE Name: (1R)-4-methyl-1-[(1S)-1-methyl-2-methylene-cyclopentyl]cyclohex-3-ene-1-carboxylic acid
IUPAC Name: (1R)-4-methyl-1-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: (1R)-4-methyl-1-[(1S)-1-methyl-2-methylidene-cyclopentyl]cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CC[C@@](CC1)(C(=O)O)[C@]2(CCCC2=C)C
Structure:
CAS RN: 114942-10-8
CAS Name: (1R)-4-methyl-1-[(1R)-1-methyl-2-methylenecyclopentyl]-1-cyclohex-3-enecarboxylic acid
OPENEYE Name: (1R)-4-methyl-1-[(1R)-1-methyl-2-methylene-cyclopentyl]cyclohex-3-ene-1-carboxylic acid
IUPAC Name: (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidenecyclopentyl]cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: (1R)-4-methyl-1-[(1R)-1-methyl-2-methylidene-cyclopentyl]cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1=CC[C@@](CC1)(C(=O)O)[C@@]2(CCCC2=C)C
Structure:
CAS RN: 114896-44-5
CAS Name: (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
OPENEYE Name: (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamidine
IUPAC Name: (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SYSTEMATIC NAME: (4R)-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
MOLECULAR FORMULA: C10H13N3O
MOLECULAR WEIGHT: 191.22972
SMILES: C1[C@@H](C2=CC=CC=C2CN1C(=N)N)O
Structure:
CAS RN: 114892-66-9
CAS Name: (4S)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
OPENEYE Name: (4S)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamidine
IUPAC Name: (4S)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SYSTEMATIC NAME: (4S)-4-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
MOLECULAR FORMULA: C10H13N3O
MOLECULAR WEIGHT: 191.22972
SMILES: C1[C@H](C2=CC=CC=C2CN1C(=N)N)O
Structure:
CAS RN: 114828-47-6
CAS Name: 1-ethylsulfinyl-2-(methylthio)ethane
OPENEYE Name: 1-ethylsulfinyl-2-methylsulfanyl-ethane
IUPAC Name: 1-ethylsulfinyl-2-methylsulfanylethane
SYSTEMATIC NAME: 1-ethylsulfinyl-2-methylsulfanyl-ethane
MOLECULAR FORMULA: C5H12OS2
MOLECULAR WEIGHT: 152.27818
SMILES: CCS(=O)CCSC
Structure:
CAS RN: 114828-46-5
CAS Name: 1-ethylsulfonyl-2-(methylthio)ethane
OPENEYE Name: 1-ethylsulfonyl-2-methylsulfanyl-ethane
IUPAC Name: 1-ethylsulfonyl-2-methylsulfanylethane
SYSTEMATIC NAME: 1-ethylsulfonyl-2-methylsulfanyl-ethane
MOLECULAR FORMULA: C5H12O2S2
MOLECULAR WEIGHT: 168.27758
SMILES: CCS(=O)(=O)CCSC
Structure:
CAS RN: 114804-64-7
CAS Name: 2-[2-(1,3-dioxo-3-phenylpropyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(3-oxo-3-phenyl-propanoyl)phenyl]acetic acid
IUPAC Name: 2-[2-(3-oxo-3-phenylpropanoyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(3-oxidanylidene-3-phenyl-propanoyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C17H14O4
MOLECULAR WEIGHT: 282.29066
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2CC(=O)O
Structure:
CAS RN: 114801-27-3
CAS Name: 2-[2-(3-phenyl-5-isoxazolyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(3-phenylisoxazol-5-yl)phenyl]acetic acid
IUPAC Name: 2-[2-(3-phenyl-1,2-oxazol-5-yl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(3-phenyl-1,2-oxazol-5-yl)phenyl]ethanoic acid
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=CC=C3CC(=O)O
Structure:
CAS RN: 114752-28-2
CAS Name: 2-[2-(2-bromo-1-oxoethyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(2-bromoacetyl)phenyl]acetic acid
IUPAC Name: 2-[2-(2-bromoacetyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(2-bromanylethanoyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C10H9BrO3
MOLECULAR WEIGHT: 257.08066
SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)CBr
Structure:
CAS RN: 114746-65-5
CAS Name: 2-[2-(2,3-dibromo-1-oxo-3-phenylpropyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(2,3-dibromo-3-phenyl-propanoyl)phenyl]acetic acid
IUPAC Name: 2-[2-(2,3-dibromo-3-phenylpropanoyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[2,3-bis(bromanyl)-3-phenyl-propanoyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C17H14Br2O3
MOLECULAR WEIGHT: 426.09926
SMILES: C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2CC(=O)O)Br)Br
Structure:
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