CAS RN: 28313-42-0
CAS Name: benzene-1,4-dicarboxylic acid ditert-butyl ester
OPENEYE Name: ditert-butyl benzene-1,4-dicarboxylate
IUPAC Name: ditert-butyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: ditert-butyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)OC(C)(C)C
Structure:
CAS RN: 77414-19-8
CAS Name: 1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylthio]benzene
OPENEYE Name: 1-tert-butyl-4-(4-tert-butylphenyl)sulfinylsulfanyl-benzene
IUPAC Name: 1-tert-butyl-4-(4-tert-butylphenyl)sulfinylsulfanylbenzene
SYSTEMATIC NAME: 1-tert-butyl-4-(4-tert-butylphenyl)sulfinylsulfanyl-benzene
MOLECULAR FORMULA: C20H26OS2
MOLECULAR WEIGHT: 346.54984
SMILES: CC(C)(C)C1=CC=C(C=C1)SS(=O)C2=CC=C(C=C2)C(C)(C)C
Structure:
CAS RN: 6481-73-8
CAS Name: 1-methyl-4-[(4-methylphenyl)sulfinylthio]benzene
OPENEYE Name: 1-methyl-4-(p-tolylsulfinylsulfanyl)benzene
IUPAC Name: 1-methyl-4-(4-methylphenyl)sulfinylsulfanylbenzene
SYSTEMATIC NAME: 1-methyl-4-(4-methylphenyl)sulfinylsulfanyl-benzene
MOLECULAR FORMULA: C14H14OS2
MOLECULAR WEIGHT: 262.39036
SMILES: CC1=CC=C(C=C1)SS(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 26974-26-5
CAS Name: 1-(benzenesulfinylthio)-4-methoxybenzene
OPENEYE Name: 1-(benzenesulfinylsulfanyl)-4-methoxy-benzene
IUPAC Name: 1-(benzenesulfinylsulfanyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-methoxy-4-(phenylsulfinylsulfanyl)benzene
MOLECULAR FORMULA: C13H12O2S2
MOLECULAR WEIGHT: 264.36318
SMILES: COC1=CC=C(C=C1)SS(=O)C2=CC=CC=C2
Structure:
CAS RN: 31197-50-9
CAS Name: 1-tert-butyl-4-[(4-tert-butylphenyl)sulfonylthio]benzene
OPENEYE Name: 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanyl-benzene
IUPAC Name: 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanylbenzene
SYSTEMATIC NAME: 1-tert-butyl-4-(4-tert-butylphenyl)sulfonylsulfanyl-benzene
MOLECULAR FORMULA: C20H26O2S2
MOLECULAR WEIGHT: 362.54924
SMILES: CC(C)(C)C1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C
Structure:
CAS RN: 17385-36-3
CAS Name: 2-(2-hydroxycyclohexyl)-1-cyclohexanol
OPENEYE Name: 2-(2-hydroxycyclohexyl)cyclohexanol
IUPAC Name: 2-(2-hydroxycyclohexyl)cyclohexan-1-ol
SYSTEMATIC NAME: 2-(2-oxidanylcyclohexyl)cyclohexan-1-ol
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: C1CCC(C(C1)C2CCCCC2O)O
Structure:
CAS RN: 5811-50-7
CAS Name: 2-(1-carboxyethylthio)propanoic acid
OPENEYE Name: 2-(1-carboxyethylsulfanyl)propanoic acid
IUPAC Name: 2-(1-carboxyethylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylpropanoic acid
MOLECULAR FORMULA: C6H10O4S
MOLECULAR WEIGHT: 178.2062
SMILES: CC(C(=O)O)SC(C)C(=O)O
Structure:
CAS RN: 13145-58-9
CAS Name: 2,3-bis(4-methylphenyl)butane-2,3-diol
OPENEYE Name: 2,3-bis(p-tolyl)butane-2,3-diol
IUPAC Name: 2,3-bis(4-methylphenyl)butane-2,3-diol
SYSTEMATIC NAME: 2,3-bis(4-methylphenyl)butane-2,3-diol
MOLECULAR FORMULA: C18H22O2
MOLECULAR WEIGHT: 270.36608
SMILES: CC1=CC=C(C=C1)C(C)(C(C)(C2=CC=C(C=C2)C)O)O
Structure:
CAS RN: 54008-12-7
CAS Name: bis(4-bromophenyl)methanone hydrazone
OPENEYE Name: bis(4-bromophenyl)methanone hydrazone
IUPAC Name: bis(4-bromophenyl)methylidenehydrazine
SYSTEMATIC NAME: bis(4-bromophenyl)methylidenediazane
MOLECULAR FORMULA: C13H10Br2N2
MOLECULAR WEIGHT: 354.0399
SMILES: C1=CC(=CC=C1C(=NN)C2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 55548-99-7
CAS Name: 3,3-diphenyl-2-benzothiophene-1-thione
OPENEYE Name: 3,3-diphenyl-2-benzothiophene-1-thione
IUPAC Name: 3,3-diphenyl-2-benzothiophene-1-thione
SYSTEMATIC NAME: 3,3-diphenyl-2-benzothiophene-1-thione
MOLECULAR FORMULA: C20H14S2
MOLECULAR WEIGHT: 318.45516
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=S)S2)C4=CC=CC=C4
Structure:
CAS RN: 5895-68-1
CAS Name: N-[bis(4-methylphenyl)methylideneamino]-1,1-bis(4-methylphenyl)methanimine
OPENEYE Name: N-(bis-p-tolylmethyleneamino)-1,1-bis(p-tolyl)methanimine
IUPAC Name: N-[bis(4-methylphenyl)methylideneamino]-1,1-bis(4-methylphenyl)methanimine
SYSTEMATIC NAME: N-[bis(4-methylphenyl)methylideneamino]-1,1-bis(4-methylphenyl)methanimine
MOLECULAR FORMULA: C30H28N2
MOLECULAR WEIGHT: 416.55672
SMILES: CC1=CC=C(C=C1)C(=NN=C(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C
Structure:
CAS RN: 185-11-5
CAS Name: 2-thiaspiro[3.5]nonane
OPENEYE Name: 2-thiaspiro[3.5]nonane
IUPAC Name: 2-thiaspiro[3.5]nonane
SYSTEMATIC NAME: 2-thiaspiro[3.5]nonane
MOLECULAR FORMULA: C8H14S
MOLECULAR WEIGHT: 142.26176
SMILES: C1CCC2(CC1)CSC2
Structure:
CAS RN: 54890-03-8
CAS Name: cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol
OPENEYE Name: cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol
IUPAC Name: cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol
SYSTEMATIC NAME: cyclohexane-1,1,2,2,3,3,4,4,5,5,6,6-dodecol
MOLECULAR FORMULA: C6H12O12
MOLECULAR WEIGHT: 276.15228
SMILES: C1(C(C(C(C(C1(O)O)(O)O)(O)O)(O)O)(O)O)(O)O
Structure:
CAS RN: 79828-48-1
CAS Name: benzoic acid (2,3,4,5,6-pentabenzoyloxyphenyl) ester
OPENEYE Name: (2,3,4,5,6-pentabenzoyloxyphenyl) benzoate
IUPAC Name: (2,3,4,5,6-pentabenzoyloxyphenyl) benzoate
SYSTEMATIC NAME: [2,3,4,5,6-pentakis(phenylcarbonyloxy)phenyl] benzoate
MOLECULAR FORMULA: C48H30O12
MOLECULAR WEIGHT: 798.7446
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C(=C(C(=C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
Structure:
CAS RN: 20129-67-3
CAS Name: butanoic acid [2,3,4,5,6-pentakis(1-oxobutoxy)phenyl] ester
OPENEYE Name: [2,3,4,5,6-penta(butanoyloxy)phenyl] butanoate
IUPAC Name: [2,3,4,5,6-penta(butanoyloxy)phenyl] butanoate
SYSTEMATIC NAME: [2,3,4,5,6-penta(butanoyloxy)phenyl] butanoate
MOLECULAR FORMULA: C30H42O12
MOLECULAR WEIGHT: 594.64728
SMILES: CCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
Structure:
CAS RN: 55249-70-2
CAS Name: 2,6-dibromospiro[3.3]heptane-2,6-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dibromospiro[3.3]heptane-2,6-dicarboxylate
IUPAC Name: diethyl 2,6-dibromospiro[3.3]heptane-2,6-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-bis(bromanyl)spiro[3.3]heptane-2,6-dicarboxylate
MOLECULAR FORMULA: C13H18Br2O4
MOLECULAR WEIGHT: 398.08762
SMILES: CCOC(=O)C1(CC2(C1)CC(C2)(C(=O)OCC)Br)Br
Structure:
CAS RN: 90623-76-0
CAS Name: 5,8-dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 5,8-dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)tetralin-1-one
IUPAC Name: 5,8-dihydroxy-3-(2-methyl-1,3-dioxolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 3-(2-methyl-1,3-dioxolan-2-yl)-5,8-bis(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C14H16O5
MOLECULAR WEIGHT: 264.27384
SMILES: CC1(OCCO1)C2CC3=C(C=CC(=C3C(=O)C2)O)O
Structure:
CAS RN: 33428-71-6
CAS Name: 4-methylbenzenesulfonic acid [6-[[3,4-dihydroxy-2-(hydroxymethyl)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [6-[3,4-dihydroxy-2-(hydroxymethyl)-5-(p-tolylsulfonyloxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [6-[3,4-dihydroxy-2-(hydroxymethyl)-5-[(4-methylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [6-[2-(hydroxymethyl)-5-[(4-methylphenyl)sulfonyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C26H34O15S2
MOLECULAR WEIGHT: 650.66916
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COS(=O)(=O)C4=CC=C(C=C4)C)O)O)CO)O)O)O
Structure:
CAS RN: 67047-14-7
CAS Name: N,N'-bis(4-ethyl-9-acridinyl)ethane-1,2-diamine
OPENEYE Name: N,N'-bis(4-ethylacridin-9-yl)ethane-1,2-diamine
IUPAC Name: N,N'-bis(4-ethylacridin-9-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N,N'-bis(4-ethylacridin-9-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C32H30N4
MOLECULAR WEIGHT: 470.6074
SMILES: CCC1=CC=CC2=C(C3=CC=CC=C3N=C21)NCCNC4=C5C=CC=C(C5=NC6=CC=CC=C64)CC
Structure:
CAS RN: 59886-55-4
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(2,3-dihydroxypropylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(2,3-dihydroxypropylamino)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(2,3-dihydroxypropylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis[2,3-bis(oxidanyl)propylamino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H24N4O6
MOLECULAR WEIGHT: 368.38496
SMILES: C1CN1C2=C(C(=O)C(=C(C2=O)NCC(CO)O)N3CC3)NCC(CO)O
Structure:
CAS RN: 63696-53-7
CAS Name: 6,6-dimethyl-2,3-dihydroimidazo[2,1-b]oxazol-5-one
OPENEYE Name: 6,6-dimethyl-2,3-dihydroimidazo[2,1-b]oxazol-5-one
IUPAC Name: 6,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-5-one
SYSTEMATIC NAME: 6,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-5-one
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1(C(=O)N2CCOC2=N1)C
Structure:
CAS RN: 63696-50-4
CAS Name: methanesulfonic acid 2-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)ethyl ester
OPENEYE Name: 2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)ethyl methanesulfonate
IUPAC Name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl methanesulfonate
SYSTEMATIC NAME: 2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl methanesulfonate
MOLECULAR FORMULA: C8H14N2O5S
MOLECULAR WEIGHT: 250.27216
SMILES: CC1(C(=O)N(C(=O)N1)CCOS(=O)(=O)C)C
Structure:
CAS RN: 33654-66-9
CAS Name: 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 3-acetyl-5,8-dimethoxy-tetralin-1-one
IUPAC Name: 3-acetyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 3-ethanoyl-5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: CC(=O)C1CC2=C(C=CC(=C2C(=O)C1)OC)OC
Structure:
CAS RN: 33654-65-8
CAS Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-oxopentanoic acid
OPENEYE Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-oxo-pentanoic acid
IUPAC Name: 3-[(2,5-dimethoxyphenyl)methyl]-4-oxopentanoic acid
SYSTEMATIC NAME: 3-[(2,5-dimethoxyphenyl)methyl]-4-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C14H18O5
MOLECULAR WEIGHT: 266.28972
SMILES: CC(=O)C(CC1=C(C=CC(=C1)OC)OC)CC(=O)O
Structure:
CAS RN: 33654-64-7
CAS Name: 3-acetyl-3-[(2,5-dimethoxyphenyl)methyl]-4-oxopentanoic acid ethyl ester
OPENEYE Name: ethyl 3-acetyl-3-[(2,5-dimethoxyphenyl)methyl]-4-oxo-pentanoate
IUPAC Name: ethyl 3-acetyl-3-[(2,5-dimethoxyphenyl)methyl]-4-oxopentanoate
SYSTEMATIC NAME: ethyl 3-[(2,5-dimethoxyphenyl)methyl]-3-ethanoyl-4-oxidanylidene-pentanoate
MOLECULAR FORMULA: C18H24O6
MOLECULAR WEIGHT: 336.37956
SMILES: CCOC(=O)CC(CC1=C(C=CC(=C1)OC)OC)(C(=O)C)C(=O)C
Structure:
CAS RN: 33654-63-6
CAS Name: 3-[(2,5-dimethoxyphenyl)methyl]pentane-2,4-dione
OPENEYE Name: 3-[(2,5-dimethoxyphenyl)methyl]pentane-2,4-dione
IUPAC Name: 3-[(2,5-dimethoxyphenyl)methyl]pentane-2,4-dione
SYSTEMATIC NAME: 3-[(2,5-dimethoxyphenyl)methyl]pentane-2,4-dione
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CC(=O)C(CC1=C(C=CC(=C1)OC)OC)C(=O)C
Structure:
CAS RN: 33654-62-5
CAS Name: 3-[(2,5-dimethoxyphenyl)methylidene]pentane-2,4-dione
OPENEYE Name: 3-[(2,5-dimethoxyphenyl)methylene]pentane-2,4-dione
IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylidene]pentane-2,4-dione
SYSTEMATIC NAME: 3-[(2,5-dimethoxyphenyl)methylidene]pentane-2,4-dione
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: CC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)C
Structure:
CAS RN: 53100-42-8
CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-methyl-3-oxopentanoic acid ethyl ester
OPENEYE Name: ethyl 4-(1,3-dioxoisoindolin-2-yl)-2-methyl-3-oxo-pentanoate
IUPAC Name: ethyl 4-(1,3-dioxoisoindol-2-yl)-2-methyl-3-oxopentanoate
SYSTEMATIC NAME: ethyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-3-oxidanylidene-pentanoate
MOLECULAR FORMULA: C16H17NO5
MOLECULAR WEIGHT: 303.30988
SMILES: CCOC(=O)C(C)C(=O)C(C)N1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 18708-54-8
CAS Name: 4-methyl-N-(pyridin-4-ylmethylideneamino)benzenesulfonamide
OPENEYE Name: 4-methyl-N-(4-pyridylmethyleneamino)benzenesulfonamide
IUPAC Name: 4-methyl-N-(pyridin-4-ylmethylideneamino)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(pyridin-4-ylmethylideneamino)benzenesulfonamide
MOLECULAR FORMULA: C13H13N3O2S
MOLECULAR WEIGHT: 275.32622
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=NC=C2
Structure:
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