CAS RN: 62340-80-1
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyl-2-propenoic acid
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-2-enoic acid
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C22H27ClO5
MOLECULAR WEIGHT: 406.89978
SMILES: CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 65637-89-0
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyl-2-propenoic acid
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-2-enoic acid
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C22H27ClO5
MOLECULAR WEIGHT: 406.89978
SMILES: CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 72779-56-7
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyl-2-propenoic acid
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-2-enoic acid
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C22H27ClO5
MOLECULAR WEIGHT: 406.89978
SMILES: CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 73905-08-5
CAS Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methyl-2-propenoic acid
OPENEYE Name: 2-(chloromethyl)oxirane; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol; 2-methylprop-2-enoic acid
IUPAC Name: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: 2-(chloromethyl)oxirane; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C22H27ClO5
MOLECULAR WEIGHT: 406.89978
SMILES: CC(=C)C(=O)O.CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C1C(O1)CCl
Structure:
CAS RN: 125730-59-8
CAS Name: phosphorous acid tris[2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester
OPENEYE Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
IUPAC Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] phosphite
SYSTEMATIC NAME: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
MOLECULAR FORMULA: C66H87O6PS3
MOLECULAR WEIGHT: 1103.562141
SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
Structure:
CAS RN: 142607-76-9
CAS Name: phosphorous acid tris[2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester
OPENEYE Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
IUPAC Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] phosphite
SYSTEMATIC NAME: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
MOLECULAR FORMULA: C66H87O6PS3
MOLECULAR WEIGHT: 1103.562141
SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
Structure:
CAS RN: 36339-47-6
CAS Name: phosphorous acid tris[2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester
OPENEYE Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
IUPAC Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] phosphite
SYSTEMATIC NAME: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
MOLECULAR FORMULA: C66H87O6PS3
MOLECULAR WEIGHT: 1103.562141
SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
Structure:
CAS RN: 49556-60-7
CAS Name: phosphorous acid tris[2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester
OPENEYE Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
IUPAC Name: tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] phosphite
SYSTEMATIC NAME: tris[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] phosphite
MOLECULAR FORMULA: C66H87O6PS3
MOLECULAR WEIGHT: 1103.562141
SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
Structure:
CAS RN: 41036-37-7
CAS Name: 4-anilino-2-methoxybenzenediazonium sulfate
OPENEYE Name: 4-anilino-2-methoxy-benzenediazonium sulfate
IUPAC Name: 4-anilino-2-methoxybenzenediazonium sulfate
SYSTEMATIC NAME: 2-methoxy-4-phenylazanyl-benzenediazonium sulfate
MOLECULAR FORMULA: C13H12N3O5S-
MOLECULAR WEIGHT: 322.31648
SMILES: COC1=C(C=CC(=C1)NC2=CC=CC=C2)[N+]#N.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 36266-37-2
CAS Name: 1-[2-(3,4,5-trimethoxyphenyl)ethyl]aziridine
OPENEYE Name: 1-[2-(3,4,5-trimethoxyphenyl)ethyl]aziridine
IUPAC Name: 1-[2-(3,4,5-trimethoxyphenyl)ethyl]aziridine
SYSTEMATIC NAME: 1-[2-(3,4,5-trimethoxyphenyl)ethyl]aziridine
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: COC1=CC(=CC(=C1OC)OC)CCN2CC2
Structure:
CAS RN: 36259-37-7
CAS Name: N,N-dipentylcarbamodithioate; nickel(2+)
OPENEYE Name: nickelous N,N-dipentylcarbamodithioate
IUPAC Name: N,N-dipentylcarbamodithioate; nickel(2+)
SYSTEMATIC NAME: N,N-dipentylcarbamodithioate; nickel(2+)
MOLECULAR FORMULA: C22H44N2NiS4
MOLECULAR WEIGHT: 523.55156
SMILES: CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].[Ni+2]
Structure:
CAS RN: 4089-53-6
CAS Name: 1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
OPENEYE Name: 1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
IUPAC Name: 1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CC1=NC=C(C(=C1O)C2C3=CC(=C(C=C3CCN2)O)O)CO
Structure:
CAS RN: 36093-85-3
CAS Name: 4-[(2,4-diamino-6-pteridinyl)methylamino]benzoic acid
OPENEYE Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid
IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid
SYSTEMATIC NAME: 4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]benzoic acid
MOLECULAR FORMULA: C14H13N7O2
MOLECULAR WEIGHT: 311.29872
SMILES: C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 36089-45-9
CAS Name: 4-hydroxy-2-methylenebutanoic acid; 2-propenoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl prop-2-enoate; 4-hydroxy-2-methylene-butanoic acid
IUPAC Name: 2-ethylhexyl prop-2-enoate; 4-hydroxy-2-methylidenebutanoic acid
SYSTEMATIC NAME: 2-ethylhexyl prop-2-enoate; 2-methylidene-4-oxidanyl-butanoic acid
MOLECULAR FORMULA: C16H28O5
MOLECULAR WEIGHT: 300.39052
SMILES: CCCCC(CC)COC(=O)C=C.C=C(CCO)C(=O)O
Structure:
CAS RN: 40828-92-0
CAS Name: trihydroxy(propyl)silane
OPENEYE Name: trihydroxy(propyl)silane
IUPAC Name: trihydroxy(propyl)silane
SYSTEMATIC NAME: tris(oxidanyl)-propyl-silane
MOLECULAR FORMULA: C3H10O3Si
MOLECULAR WEIGHT: 122.1952
SMILES: CCC[Si](O)(O)O
Structure:
CAS RN: 40717-56-4
CAS Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-2,3-dihydroinden-1-one
OPENEYE Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-indan-1-one
IUPAC Name: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: CC1=C(C(=C2C(=C1)C[C@H](C2=O)CO)C)CCO
Structure:
CAS RN: 35923-65-0
CAS Name: 7-oxoheptanoic acid
OPENEYE Name: 7-oxoheptanoic acid
IUPAC Name: 7-oxoheptanoic acid
SYSTEMATIC NAME: 7-oxidanylideneheptanoic acid
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: C(CCC=O)CCC(=O)O
Structure:
CAS RN: 40650-74-6
CAS Name: (2R,3R)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
OPENEYE Name: (2R,3R)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-indan-1-one
IUPAC Name: (2R,3R)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: (2R,3R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-3-oxidanyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C[C@@H]1[C@H](C2=CC(=C(C(=C2C1=O)C)CCO)C)O
Structure:
CAS RN: 40646-17-1
CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid
OPENEYE Name: (2S)-5-benzyloxy-2-(1-ethoxycarbonylallylamino)-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine
IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid
MOLECULAR FORMULA: C30H46N2O6
MOLECULAR WEIGHT: 530.69604
SMILES: CCOC(=O)C(C=C)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2
Structure:
CAS RN: 40645-25-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16N2O3
MOLECULAR WEIGHT: 332.35264
SMILES: CC[C@@H]1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2
Structure:
CAS RN: 35853-50-0
CAS Name: 2,8-bis(trifluoromethyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2,8-bis(trifluoromethyl)quinoline-4-carboxylic acid
IUPAC Name: 2,8-bis(trifluoromethyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2,8-bis(trifluoromethyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C12H5F6NO2
MOLECULAR WEIGHT: 309.164019
SMILES: C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)O)C(F)(F)F
Structure:
CAS RN: 35788-00-2
CAS Name: copper(1+) sulfite
OPENEYE Name: dicuprous sulfite
IUPAC Name: copper(1+) sulfite
SYSTEMATIC NAME: copper(1+) sulfite
MOLECULAR FORMULA: Cu2O3S
MOLECULAR WEIGHT: 207.1552
SMILES: [O-]S(=O)[O-].[Cu+].[Cu+]
Structure:
CAS RN: 13982-53-1
CAS Name: copper(1+) sulfite
OPENEYE Name: dicuprous sulfite
IUPAC Name: copper(1+) sulfite
SYSTEMATIC NAME: copper(1+) sulfite
MOLECULAR FORMULA: Cu2O3S
MOLECULAR WEIGHT: 207.1552
SMILES: [O-]S(=O)[O-].[Cu+].[Cu+]
Structure:
CAS RN: 35779-43-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23N3O
MOLECULAR WEIGHT: 309.40542
SMILES: CCN(CC)C(=O)[C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1
Structure:
CAS RN: 113338-72-0
CAS Name: 2-propenamide; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium; chloride
OPENEYE Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium; chloride
IUPAC Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
SYSTEMATIC NAME: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
MOLECULAR FORMULA: C12H23ClN2O3
MOLECULAR WEIGHT: 278.77562
SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.C=CC(=O)N.[Cl-]
Structure:
CAS RN: 121718-47-6
CAS Name: 2-propenamide; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium; chloride
OPENEYE Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium; chloride
IUPAC Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
SYSTEMATIC NAME: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
MOLECULAR FORMULA: C12H23ClN2O3
MOLECULAR WEIGHT: 278.77562
SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.C=CC(=O)N.[Cl-]
Structure:
CAS RN: 132174-31-3
CAS Name: 2-propenamide; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium; chloride
OPENEYE Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium; chloride
IUPAC Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
SYSTEMATIC NAME: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
MOLECULAR FORMULA: C12H23ClN2O3
MOLECULAR WEIGHT: 278.77562
SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.C=CC(=O)N.[Cl-]
Structure:
CAS RN: 147014-82-2
CAS Name: 2-propenamide; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium; chloride
OPENEYE Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium; chloride
IUPAC Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
SYSTEMATIC NAME: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
MOLECULAR FORMULA: C12H23ClN2O3
MOLECULAR WEIGHT: 278.77562
SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.C=CC(=O)N.[Cl-]
Structure:
CAS RN: 147035-98-1
CAS Name: 2-propenamide; trimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium; chloride
OPENEYE Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium; chloride
IUPAC Name: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
SYSTEMATIC NAME: prop-2-enamide; trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium; chloride
MOLECULAR FORMULA: C12H23ClN2O3
MOLECULAR WEIGHT: 278.77562
SMILES: CC(=C)C(=O)OCC[N+](C)(C)C.C=CC(=O)N.[Cl-]
Structure:
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