CAS RN: 7504-61-2
CAS Name: phosphorous acid tributan-2-yl ester
OPENEYE Name: trisec-butyl phosphite
IUPAC Name: tributan-2-yl phosphite
SYSTEMATIC NAME: tributan-2-yl phosphite
MOLECULAR FORMULA: C12H27O3P
MOLECULAR WEIGHT: 250.314741
SMILES: CCC(C)OP(OC(C)CC)OC(C)CC
Structure:
CAS RN: 7504-60-1
CAS Name: 2-ethyl-1-(4-morpholinyl)-1-hexanethione
OPENEYE Name: 2-ethyl-1-morpholino-hexane-1-thione
IUPAC Name: 2-ethyl-1-morpholin-4-ylhexane-1-thione
SYSTEMATIC NAME: 2-ethyl-1-morpholin-4-yl-hexane-1-thione
MOLECULAR FORMULA: C12H23NOS
MOLECULAR WEIGHT: 229.38212
SMILES: CCCCC(CC)C(=S)N1CCOCC1
Structure:
CAS RN: 7504-59-8
CAS Name: N-cyclohexylcarbamic acid 2-(2-thiocyanatoethoxy)ethyl ester
OPENEYE Name: 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
IUPAC Name: 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
SYSTEMATIC NAME: 2-(2-thiocyanatoethoxy)ethyl N-cyclohexylcarbamate
MOLECULAR FORMULA: C12H20N2O3S
MOLECULAR WEIGHT: 272.3638
SMILES: C1CCC(CC1)NC(=O)OCCOCCSC#N
Structure:
CAS RN: 52190-29-1
CAS Name: 2-bromo-1-(3,4,5-trimethoxyphenyl)-1-propanone
OPENEYE Name: 2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one
IUPAC Name: 2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-one
SYSTEMATIC NAME: 2-bromanyl-1-(3,4,5-trimethoxyphenyl)propan-1-one
MOLECULAR FORMULA: C12H15BrO4
MOLECULAR WEIGHT: 303.1491
SMILES: CC(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)Br
Structure:
CAS RN: 7507-00-8
CAS Name: 2-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl)acetate
IUPAC Name: ethyl 2-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl)ethanoate
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: CCOC(=O)CC1OC2CCCCC2O1
Structure:
CAS RN: 7506-98-1
CAS Name: (2-chlorophenyl)-diethoxyphosphorylmethanol
OPENEYE Name: (2-chlorophenyl)-diethoxyphosphoryl-methanol
IUPAC Name: (2-chlorophenyl)-diethoxyphosphorylmethanol
SYSTEMATIC NAME: (2-chlorophenyl)-diethoxyphosphoryl-methanol
MOLECULAR FORMULA: C11H16ClO4P
MOLECULAR WEIGHT: 278.669101
SMILES: CCOP(=O)(C(C1=CC=CC=C1Cl)O)OCC
Structure:
CAS RN: 49558-04-5
CAS Name: 3-pyridinecarboxylic acid pentyl ester
OPENEYE Name: pentyl pyridine-3-carboxylate
IUPAC Name: pentyl pyridine-3-carboxylate
SYSTEMATIC NAME: pentyl pyridine-3-carboxylate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCCCCOC(=O)C1=CN=CC=C1
Structure:
CAS RN: 7506-97-0
CAS Name: 3,4-dichloro-N,N-diethylbenzamide
OPENEYE Name: 3,4-dichloro-N,N-diethyl-benzamide
IUPAC Name: 3,4-dichloro-N,N-diethylbenzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N,N-diethyl-benzamide
MOLECULAR FORMULA: C11H13Cl2NO
MOLECULAR WEIGHT: 246.13302
SMILES: CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 7506-95-8
CAS Name: 2-(ethylcarbamoyloxy)propanoic acid butyl ester
OPENEYE Name: butyl 2-(ethylcarbamoyloxy)propanoate
IUPAC Name: butyl 2-(ethylcarbamoyloxy)propanoate
SYSTEMATIC NAME: butyl 2-(ethylcarbamoyloxy)propanoate
MOLECULAR FORMULA: C10H19NO4
MOLECULAR WEIGHT: 217.26216
SMILES: CCCCOC(=O)C(C)OC(=O)NCC
Structure:
CAS RN: 1919-52-4
CAS Name: 6-(5-bicyclo[2.2.1]hept-2-enyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-(5-bicyclo[2.2.1]hept-2-enyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-(5-bicyclo[2.2.1]hept-2-enyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-(5-bicyclo[2.2.1]hept-2-enyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C10H13N5
MOLECULAR WEIGHT: 203.24372
SMILES: C1C2CC(C1C=C2)C3=NC(=NC(=N3)N)N
Structure:
CAS RN: 7598-60-9
CAS Name: propanoic acid (2-methoxyphenyl) ester
OPENEYE Name: (2-methoxyphenyl) propanoate
IUPAC Name: (2-methoxyphenyl) propanoate
SYSTEMATIC NAME: (2-methoxyphenyl) propanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CCC(=O)OC1=CC=CC=C1OC
Structure:
CAS RN: 6018-02-6
CAS Name: N-(5-chloro-2-methylphenyl)carbamic acid 2-chloroethyl ester
OPENEYE Name: 2-chloroethyl N-(5-chloro-2-methyl-phenyl)carbamate
IUPAC Name: 2-chloroethyl N-(5-chloro-2-methylphenyl)carbamate
SYSTEMATIC NAME: 2-chloroethyl N-(5-chloranyl-2-methyl-phenyl)carbamate
MOLECULAR FORMULA: C10H11Cl2NO2
MOLECULAR WEIGHT: 248.10584
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)OCCCl
Structure:
CAS RN: 7598-59-6
CAS Name: 3-butylimino-2,2-dichloropropanoic acid ethyl ester
OPENEYE Name: ethyl 3-butylimino-2,2-dichloro-propanoate
IUPAC Name: ethyl 3-butylimino-2,2-dichloropropanoate
SYSTEMATIC NAME: ethyl 3-butylimino-2,2-bis(chloranyl)propanoate
MOLECULAR FORMULA: C9H15Cl2NO2
MOLECULAR WEIGHT: 240.1269
SMILES: CCCCN=CC(C(=O)OCC)(Cl)Cl
Structure:
CAS RN: 7506-93-6
CAS Name: 2-(2-nitrophenoxy)acetic acid methyl ester
OPENEYE Name: methyl 2-(2-nitrophenoxy)acetate
IUPAC Name: methyl 2-(2-nitrophenoxy)acetate
SYSTEMATIC NAME: methyl 2-(2-nitrophenoxy)ethanoate
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: COC(=O)COC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 34850-87-8
CAS Name: N2,N2,N4,N4-tetrachloro-6-phenyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2,N2,N4,N4-tetrachloro-6-phenyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N,2-N,4-N,4-N-tetrachloro-6-phenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N2,N4,N4-tetrakis(chloranyl)-6-phenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H5Cl4N5
MOLECULAR WEIGHT: 324.9815
SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)N(Cl)Cl)N(Cl)Cl
Structure:
CAS RN: 10129-55-2
CAS Name: 1,1,1-trichloro-3-(2-pyridinyl)-2-propanol
OPENEYE Name: 1,1,1-trichloro-3-(2-pyridyl)propan-2-ol
IUPAC Name: 1,1,1-trichloro-3-pyridin-2-ylpropan-2-ol
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)-3-pyridin-2-yl-propan-2-ol
MOLECULAR FORMULA: C8H8Cl3NO
MOLECULAR WEIGHT: 240.51422
SMILES: C1=CC=NC(=C1)CC(C(Cl)(Cl)Cl)O
Structure:
CAS RN: 7506-88-9
CAS Name: carbamimidothioic acid (3,4-dichlorophenyl)methyl ester; 2-(2,4-dichlorophenoxy)acetic acid
OPENEYE Name: 2-(2,4-dichlorophenoxy)acetic acid; 2-[(3,4-dichlorophenyl)methyl]isothiourea
IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid; (3,4-dichlorophenyl)methyl carbamimidothioate
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]ethanoic acid; (3,4-dichlorophenyl)methyl carbamimidothioate
MOLECULAR FORMULA: C16H14Cl4N2O3S
MOLECULAR WEIGHT: 456.17096
SMILES: C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
Structure:
CAS RN: 7506-87-8
CAS Name: 2-hydroxy-4-isothiocyanatobenzoic acid
OPENEYE Name: 2-hydroxy-4-isothiocyanato-benzoic acid
IUPAC Name: 2-hydroxy-4-isothiocyanatobenzoic acid
SYSTEMATIC NAME: 4-isothiocyanato-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H5NO3S
MOLECULAR WEIGHT: 195.1952
SMILES: C1=CC(=C(C=C1N=C=S)O)C(=O)O
Structure:
CAS RN: 7506-86-7
CAS Name: N-acetylcarbamic acid butyl ester
OPENEYE Name: butyl N-acetylcarbamate
IUPAC Name: butyl N-acetylcarbamate
SYSTEMATIC NAME: butyl N-ethanoylcarbamate
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: CCCCOC(=O)NC(=O)C
Structure:
CAS RN: 7506-85-6
CAS Name: (2-methoxyphenyl)phosphonic acid
OPENEYE Name: (2-methoxyphenyl)phosphonic acid
IUPAC Name: (2-methoxyphenyl)phosphonic acid
SYSTEMATIC NAME: (2-methoxyphenyl)phosphonic acid
MOLECULAR FORMULA: C7H9O4P
MOLECULAR WEIGHT: 188.117721
SMILES: COC1=CC=CC=C1P(=O)(O)O
Structure:
CAS RN: 816-75-1
CAS Name: N,N-dimethylcarbamodithioic acid (2-amino-2-oxoethyl) ester
OPENEYE Name: (2-amino-2-oxo-ethyl) N,N-dimethylcarbamodithioate
IUPAC Name: (2-amino-2-oxoethyl) N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: (2-azanyl-2-oxidanylidene-ethyl) N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C5H10N2OS2
MOLECULAR WEIGHT: 178.2757
SMILES: CN(C)C(=S)SCC(=O)N
Structure:
CAS RN: 477-82-7
CAS Name: 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
OPENEYE Name: 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
IUPAC Name: 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
SYSTEMATIC NAME: 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
MOLECULAR FORMULA: C16H13NO4
MOLECULAR WEIGHT: 283.27872
SMILES: CN1C2=CC=CC=C2C(=O)C3=C(C4=C(C=C31)OCO4)OC
Structure:
CAS RN: 20231-81-6
CAS Name: 3-[14-hydroxy-10,13-dimethyl-3-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[3-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C35H54O14
MOLECULAR WEIGHT: 698.79486
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O
Structure:
CAS RN: 545-26-6
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-10,13-dimethyl-3,14,16-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O
Structure:
CAS RN: 7598-56-3
CAS Name: 3,5,5-trimethyl-N-[2-(3,5,5-trimethylhexylideneamino)ethyl]-1-hexanimine
OPENEYE Name: 3,5,5-trimethyl-N-[2-(3,5,5-trimethylhexylideneamino)ethyl]hexan-1-imine
IUPAC Name: 3,5,5-trimethyl-N-[2-(3,5,5-trimethylhexylideneamino)ethyl]hexan-1-imine
SYSTEMATIC NAME: 3,5,5-trimethyl-N-[2-(3,5,5-trimethylhexylideneamino)ethyl]hexan-1-imine
MOLECULAR FORMULA: C20H40N2
MOLECULAR WEIGHT: 308.545
SMILES: CC(CC=NCCN=CCC(C)CC(C)(C)C)CC(C)(C)C
Structure:
CAS RN: 7506-76-5
CAS Name: 2-chlorobenzoic acid prop-2-enyl ester
OPENEYE Name: allyl 2-chlorobenzoate
IUPAC Name: prop-2-enyl 2-chlorobenzoate
SYSTEMATIC NAME: prop-2-enyl 2-chloranylbenzoate
MOLECULAR FORMULA: C10H9ClO2
MOLECULAR WEIGHT: 196.63026
SMILES: C=CCOC(=O)C1=CC=CC=C1Cl
Structure:
CAS RN: 7504-11-2
CAS Name: dibutoxy-(2,4-dichlorophenoxy)-sulfanylidenephosphorane
OPENEYE Name: dibutoxy-(2,4-dichlorophenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: dibutoxy-(2,4-dichlorophenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [2,4-bis(chloranyl)phenoxy]-dibutoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C14H21Cl2O3PS
MOLECULAR WEIGHT: 371.259501
SMILES: CCCCOP(=S)(OCCCC)OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 7495-95-6
CAS Name: dichlorozinc; phosphorous acid tris(2-ethylhexyl) ester
OPENEYE Name: dichlorozinc; tris(2-ethylhexyl) phosphite
IUPAC Name: dichlorozinc; tris(2-ethylhexyl) phosphite
SYSTEMATIC NAME: bis(chloranyl)zinc; tris(2-ethylhexyl) phosphite
MOLECULAR FORMULA: C24H51Cl2O3PZn
MOLECULAR WEIGHT: 554.948701
SMILES: CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.Cl[Zn]Cl
Structure:
CAS RN: 7598-55-2
CAS Name: dichlorotin; phosphorous acid tris(2-ethylhexyl) ester
OPENEYE Name: dichlorotin; tris(2-ethylhexyl) phosphite
IUPAC Name: dichlorotin; tris(2-ethylhexyl) phosphite
SYSTEMATIC NAME: bis(chloranyl)tin; tris(2-ethylhexyl) phosphite
MOLECULAR FORMULA: C24H51Cl2O3PSn
MOLECULAR WEIGHT: 608.249701
SMILES: CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC.Cl[Sn]Cl
Structure:
CAS RN: 7495-90-1
CAS Name: decanoic acid 4-(2-oxolanyl)butan-2-yl ester
OPENEYE Name: (1-methyl-3-tetrahydrofuran-2-yl-propyl) decanoate
IUPAC Name: 4-(oxolan-2-yl)butan-2-yl decanoate
SYSTEMATIC NAME: 4-(oxolan-2-yl)butan-2-yl decanoate
MOLECULAR FORMULA: C18H34O3
MOLECULAR WEIGHT: 298.46076
SMILES: CCCCCCCCCC(=O)OC(C)CCC1CCCO1
Structure:
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