CAS RN: 83249-34-7
CAS Name: 1-(3-propan-2-yloxypropylamino)anthracene-9,10-dione
OPENEYE Name: 1-(3-isopropoxypropylamino)anthracene-9,10-dione
IUPAC Name: 1-(3-propan-2-yloxypropylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(3-propan-2-yloxypropylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: CC(C)OCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 82799-47-1
CAS Name: 2-dodecyl-10,10-dioxo-9-thioxanthenone
OPENEYE Name: 2-dodecyl-10,10-dioxo-thioxanthen-9-one
IUPAC Name: 2-dodecyl-10,10-dioxothioxanthen-9-one
SYSTEMATIC NAME: 2-dodecyl-10,10-bis(oxidanylidene)thioxanthen-9-one
MOLECULAR FORMULA: C25H32O3S
MOLECULAR WEIGHT: 412.58478
SMILES: CCCCCCCCCCCCC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 82799-45-9
CAS Name: 2,4-diethyl-10,10-dioxo-9-thioxanthenone
OPENEYE Name: 2,4-diethyl-10,10-dioxo-thioxanthen-9-one
IUPAC Name: 2,4-diethyl-10,10-dioxothioxanthen-9-one
SYSTEMATIC NAME: 2,4-diethyl-10,10-bis(oxidanylidene)thioxanthen-9-one
MOLECULAR FORMULA: C17H16O3S
MOLECULAR WEIGHT: 300.37214
SMILES: CCC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3S2(=O)=O)CC
Structure:
CAS RN: 82799-43-7
CAS Name: 10,10-dioxo-2,4-di(propan-2-yl)-9-thioxanthenone
OPENEYE Name: 2,4-diisopropyl-10,10-dioxo-thioxanthen-9-one
IUPAC Name: 10,10-dioxo-2,4-di(propan-2-yl)thioxanthen-9-one
SYSTEMATIC NAME: 10,10-bis(oxidanylidene)-2,4-di(propan-2-yl)thioxanthen-9-one
MOLECULAR FORMULA: C19H20O3S
MOLECULAR WEIGHT: 328.4253
SMILES: CC(C)C1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3S2(=O)=O)C(C)C
Structure:
CAS RN: 82281-92-3
CAS Name: 1-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]-2-propanol acetate
OPENEYE Name: 1-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-2-ol acetate
IUPAC Name: 1-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propan-2-ol acetate
SYSTEMATIC NAME: 1-[ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propan-2-ol ethanoate
MOLECULAR FORMULA: C22H28N4O4S
MOLECULAR WEIGHT: 444.54712
SMILES: CCN(CC(C)O)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.CC(=O)[O-]
Structure:
CAS RN: 81921-84-8
CAS Name: 5-[4-(dimethylamino)phenyl]azo-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine chloride
OPENEYE Name: 5-[4-(dimethylamino)phenyl]azo-N,N-diisopropyl-4-methyl-1,3,4-thiadiazol-4-ium-2-amine chloride
IUPAC Name: 5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine chloride
SYSTEMATIC NAME: 5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine chloride
MOLECULAR FORMULA: C17H27ClN6S
MOLECULAR WEIGHT: 382.95448
SMILES: CC(C)N(C1=N[N+](=C(S1)N=NC2=CC=C(C=C2)N(C)C)C)C(C)C.[Cl-]
Structure:
CAS RN: 80867-10-3
CAS Name: 2-hydroxyethylammonium; 5-methylheptyl sulfate
OPENEYE Name: 2-hydroxyethylammonium; 5-methylheptyl sulfate
IUPAC Name: 2-hydroxyethylazanium; 5-methylheptyl sulfate
SYSTEMATIC NAME: 2-hydroxyethylazanium; 5-methylheptyl sulfate
MOLECULAR FORMULA: C10H25NO5S
MOLECULAR WEIGHT: 271.3742
SMILES: CCC(C)CCCCOS(=O)(=O)[O-].C(CO)[NH3+]
Structure:
CAS RN: 79614-51-0
CAS Name: 2-ethoxy-8-ethyl-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-ethoxy-8-ethyl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxylate
IUPAC Name: ethyl 2-ethoxy-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 2-ethoxy-8-ethyl-5-oxidanylidene-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C14H17N3O4
MOLECULAR WEIGHT: 291.30248
SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)OCC)C(=O)OCC
Structure:
CAS RN: 79481-22-4
CAS Name: 2-naphthalenesulfonate; tetrakis(hydroxymethyl)phosphonium
OPENEYE Name: naphthalene-2-sulfonate; tetrakis(hydroxymethyl)phosphonium
IUPAC Name: naphthalene-2-sulfonate; tetrakis(hydroxymethyl)phosphanium
SYSTEMATIC NAME: naphthalene-2-sulfonate; tetrakis(hydroxymethyl)phosphanium
MOLECULAR FORMULA: C14H19O7PS
MOLECULAR WEIGHT: 362.335221
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].C(O)[P+](CO)(CO)CO
Structure:
CAS RN: 79481-21-3
CAS Name: 1-naphthalenesulfonate; tetrakis(hydroxymethyl)phosphonium
OPENEYE Name: naphthalene-1-sulfonate; tetrakis(hydroxymethyl)phosphonium
IUPAC Name: naphthalene-1-sulfonate; tetrakis(hydroxymethyl)phosphanium
SYSTEMATIC NAME: naphthalene-1-sulfonate; tetrakis(hydroxymethyl)phosphanium
MOLECULAR FORMULA: C14H19O7PS
MOLECULAR WEIGHT: 362.335221
SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].C(O)[P+](CO)(CO)CO
Structure:
CAS RN: 78521-08-1
CAS Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate
OPENEYE Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate
IUPAC Name: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate
SYSTEMATIC NAME: zinc 7,8,10,12-tetraphenylporphyrin-2,3,5-trisulfonate
MOLECULAR FORMULA: C44H25N4O9S3Zn-
MOLECULAR WEIGHT: 915.2947
SMILES: C1=CC=C(C=C1)C2=CC3=NC2=C(C4=NC(=C(C5=NC(=CC6=NC(=C3)C=C6)C(=C5S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.[Zn+2]
Structure:
CAS RN: 78510-27-7
CAS Name: sodium 1-amino-4-(2-methoxyanilino)-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: sodium 1-amino-4-(2-methoxyanilino)-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: sodium 1-amino-4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: sodium 1-azanyl-4-[(2-methoxyphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C21H15N2NaO6S
MOLECULAR WEIGHT: 446.40837
SMILES: COC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 78430-44-1
CAS Name: 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C1CC2CC(C(C2C1)O)O
Structure:
CAS RN: 78324-76-2
CAS Name: 2H-naphtho[3,2-f]benzotriazole-5,10-dione
OPENEYE Name: 2H-naphtho[3,2-f]benzotriazole-5,10-dione
IUPAC Name: 2H-naphtho[3,2-f]benzotriazole-5,10-dione
SYSTEMATIC NAME: 2H-naphtho[3,2-f]benzotriazole-5,10-dione
MOLECULAR FORMULA: C14H7N3O2
MOLECULAR WEIGHT: 249.22428
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC4=NNN=C4C=C3C2=O
Structure:
CAS RN: 77890-71-2
CAS Name: bis(2-hydroxyethyl)ammonium; 3-(2-ethylhexylsulfamoyl)propanoate
OPENEYE Name: bis(2-hydroxyethyl)ammonium; 3-(2-ethylhexylsulfamoyl)propanoate
IUPAC Name: bis(2-hydroxyethyl)azanium; 3-(2-ethylhexylsulfamoyl)propanoate
SYSTEMATIC NAME: bis(2-hydroxyethyl)azanium; 3-(2-ethylhexylsulfamoyl)propanoate
MOLECULAR FORMULA: C15H34N2O6S
MOLECULAR WEIGHT: 370.50526
SMILES: CCCCC(CC)CNS(=O)(=O)CCC(=O)[O-].C(CO)[NH2+]CCO
Structure:
CAS RN: 77020-84-9
CAS Name: 1-(2-chloro-5,5-dioxo-10-phenothiazinyl)-3-(1-imidazolyl)-1-propanone hydrochloride
OPENEYE Name: 1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)-3-imidazol-1-yl-propan-1-one hydrochloride
IUPAC Name: 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-3-imidazol-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C18H15Cl2N3O3S
MOLECULAR WEIGHT: 424.301
SMILES: C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCN4C=CN=C4.Cl
Structure:
CAS RN: 81493-98-3
CAS Name: 4-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-3-carboxy-1-oxopropyl]amino]-1,4-
OPENEYE Name: 4-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-guanidino-pentanoyl)amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-oxo-butanoyl]amino]-5-[[2-[[1-[[2-[[1-(carboxy
IUPAC Name: 4-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-5
SYSTEMATIC NAME: 4-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxid
MOLECULAR FORMULA: C66H109N23O23
MOLECULAR WEIGHT: 1592.71196
SMILES: CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N
Structure:
CAS RN: 90358-84-2
CAS Name: (E)-2-butenedioate; 5-[2-(diethylamino)ethyl]-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
OPENEYE Name: (E)-but-2-enedioate; 5-[2-(diethylamino)ethyl]-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
IUPAC Name: (E)-but-2-enedioate; 5-[2-(diethylamino)ethyl]-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
SYSTEMATIC NAME: (E)-but-2-enedioate; 5-[2-(diethylamino)ethyl]-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one
MOLECULAR FORMULA: C19H25N3O5-2
MOLECULAR WEIGHT: 375.4189
SMILES: CCN(CC)CCN1C(=O)CCCC2=C1C=CC=N2.C(=C/C(=O)[O-])\C(=O)[O-]
Structure:
CAS RN: 90221-37-7
CAS Name: 4-morpholinyl(propoxy)phosphinic acid
OPENEYE Name: morpholino(propoxy)phosphinic acid
IUPAC Name: morpholin-4-yl(propoxy)phosphinic acid
SYSTEMATIC NAME: morpholin-4-yl(propoxy)phosphinic acid
MOLECULAR FORMULA: C7H16NO4P
MOLECULAR WEIGHT: 209.180001
SMILES: CCCOP(=O)(N1CCOCC1)O
Structure:
CAS RN: 90202-82-7
CAS Name: 1-piperidinyl(propoxy)phosphinic acid
OPENEYE Name: 1-piperidyl(propoxy)phosphinic acid
IUPAC Name: piperidin-1-yl(propoxy)phosphinic acid
SYSTEMATIC NAME: piperidin-1-yl(propoxy)phosphinic acid
MOLECULAR FORMULA: C8H18NO3P
MOLECULAR WEIGHT: 207.207181
SMILES: CCCOP(=O)(N1CCCCC1)O
Structure:
CAS RN: 90177-29-0
CAS Name: (1-phenyl-1-phosphorosododecyl)benzene
OPENEYE Name: (1-phenyl-1-phosphoroso-dodecyl)benzene
IUPAC Name: (1-phenyl-1-phosphorosododecyl)benzene
SYSTEMATIC NAME: (1-phenyl-1-phosphoroso-dodecyl)benzene
MOLECULAR FORMULA: C24H33OP
MOLECULAR WEIGHT: 368.491981
SMILES: CCCCCCCCCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)P=O
Structure:
CAS RN: 89660-29-7
CAS Name: 5-chloro-1-methyl-3-(2-pyrazinyl)-2-imidazo[4,5-b]pyridinone
OPENEYE Name: 5-chloro-1-methyl-3-pyrazin-2-yl-imidazo[4,5-b]pyridin-2-one
IUPAC Name: 5-chloro-1-methyl-3-pyrazin-2-ylimidazo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 5-chloranyl-1-methyl-3-pyrazin-2-yl-imidazo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C11H8ClN5O
MOLECULAR WEIGHT: 261.66712
SMILES: CN1C2=C(N=C(C=C2)Cl)N(C1=O)C3=NC=CN=C3
Structure:
CAS RN: 89482-27-9
CAS Name: 2-[[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]amino]acetic acid
OPENEYE Name: 2-[(4,6-dithioxo-1H-1,3,5-triazin-2-yl)amino]acetic acid
IUPAC Name: 2-[[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]amino]acetic acid
SYSTEMATIC NAME: 2-[[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]amino]ethanoic acid
MOLECULAR FORMULA: C5H6N4O2S2
MOLECULAR WEIGHT: 218.25674
SMILES: C(C(=O)O)NC1=NC(=S)NC(=S)N1
Structure:
CAS RN: 88772-62-7
CAS Name: 1-[4-chloro-3,6-dimethoxy-2-[2-(1-piperidinyl)ethoxy]phenyl]-3-phenyl-1-propanol
OPENEYE Name: 1-[4-chloro-3,6-dimethoxy-2-[2-(1-piperidyl)ethoxy]phenyl]-3-phenyl-propan-1-ol
IUPAC Name: 1-[4-chloro-3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenylpropan-1-ol
SYSTEMATIC NAME: 1-[4-chloranyl-3,6-dimethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-3-phenyl-propan-1-ol
MOLECULAR FORMULA: C24H32ClNO4
MOLECULAR WEIGHT: 433.96818
SMILES: COC1=CC(=C(C(=C1C(CCC2=CC=CC=C2)O)OCCN3CCCCC3)OC)Cl
Structure:
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