CAS RN: 63057-01-2
CAS Name: 2,2-dimethylpropanoic acid 2-[methyl(1-oxododecyl)amino]ethyl ester
OPENEYE Name: 2-[dodecanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
IUPAC Name: 2-[dodecanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 2-[dodecanoyl(methyl)amino]ethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C20H39NO3
MOLECULAR WEIGHT: 341.52856
SMILES: CCCCCCCCCCCC(=O)N(C)CCOC(=O)C(C)(C)C
Structure:
CAS RN: 63056-92-8
CAS Name: 2,2-dimethylpropanoic acid 2-[2-(2,2-dimethyl-1-oxopropoxy)ethyl-(1-oxododecyl)amino]ethyl ester
OPENEYE Name: 2-[2-(2,2-dimethylpropanoyloxy)ethyl-dodecanoyl-amino]ethyl 2,2-dimethylpropanoate
IUPAC Name: 2-[2-(2,2-dimethylpropanoyloxy)ethyl-dodecanoylamino]ethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 2-[2-(2,2-dimethylpropanoyloxy)ethyl-dodecanoyl-amino]ethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C26H49NO5
MOLECULAR WEIGHT: 455.67096
SMILES: CCCCCCCCCCCC(=O)N(CCOC(=O)C(C)(C)C)CCOC(=O)C(C)(C)C
Structure:
CAS RN: 77012-67-0
CAS Name: 1,3-dimethyl-2,6-dioxo-7-[2-(sulfothio)ethyl]purine
OPENEYE Name: 1,3-dimethyl-2,6-dioxo-7-(2-sulfosulfanylethyl)purine
IUPAC Name: 1,3-dimethyl-2,6-dioxo-7-(2-sulfosulfanylethyl)purine
SYSTEMATIC NAME: 1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-sulfosulfanylethyl)purine
MOLECULAR FORMULA: C9H12N4O5S2
MOLECULAR WEIGHT: 320.34538
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSS(=O)(=O)O
Structure:
CAS RN: 55129-64-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O5
MOLECULAR WEIGHT: 396.47612
SMILES: CC(=O)OC1=CC2=C(C3=CC=CC=C31)OC(=O)CCCCCCCCCCC2=O
Structure:
CAS RN: 66678-19-1
CAS Name: 6,7,9,11-tetrahydroxy-4-methoxy-9-(1-oxo-2-propan-2-yloxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 6,7,9,11-tetrahydroxy-9-(2-isopropoxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 6,7,9,11-tetrahydroxy-4-methoxy-9-(2-propan-2-yloxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 4-methoxy-6,7,9,11-tetrakis(oxidanyl)-9-(2-propan-2-yloxyethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C24H24O9
MOLECULAR WEIGHT: 456.44196
SMILES: CC(C)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O)O
Structure:
CAS RN: 32860-96-1
CAS Name: 2-ethoxy-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
OPENEYE Name: 6,7-dibenzyloxy-5-(benzyloxymethyl)-2-ethoxy-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
IUPAC Name: 2-ethoxy-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SYSTEMATIC NAME: 2-ethoxy-2-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
MOLECULAR FORMULA: C31H36O7
MOLECULAR WEIGHT: 520.61334
SMILES: CCOC1(OC2C(C(C(OC2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C
Structure:
CAS RN: 61193-40-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H44N2O8
MOLECULAR WEIGHT: 668.77526
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)O)O)OC
Structure:
CAS RN: 40015-92-7
CAS Name: 2-(aminomethyl)-1-cyclohexanamine
OPENEYE Name: 2-(aminomethyl)cyclohexanamine
IUPAC Name: 2-(aminomethyl)cyclohexan-1-amine
SYSTEMATIC NAME: 2-(aminomethyl)cyclohexan-1-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: C1CCC(C(C1)CN)N
Structure:
CAS RN: 67498-57-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC12C3CCC(C3)C1C(=C)C(=O)O2
Structure:
CAS RN: 65271-81-0
CAS Name: 4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
OPENEYE Name: 4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
IUPAC Name: 4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
SYSTEMATIC NAME: 4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
MOLECULAR FORMULA: C22H26N4O4
MOLECULAR WEIGHT: 410.46624
SMILES: C1CN(C2=CC(=C3C(=C2N1)C(=O)C4=CC=CC=C4C3=O)NCCNCCO)CCO
Structure:
CAS RN: 60209-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H46O10
MOLECULAR WEIGHT: 590.70164
SMILES: CCCCCCCCCC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 67102-98-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H6Br2Cl12
MOLECULAR WEIGHT: 831.50564
SMILES: C1=C2C3C(C4C(C2=CC(=C1Br)Br)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 67102-97-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H6Cl13NO2
MOLECULAR WEIGHT: 753.15614
SMILES: C1=C2C3C(C4C(C2=CC(=C1[N+](=O)[O-])Cl)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 16479-21-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H7Cl12NO5S
MOLECULAR WEIGHT: 798.77428
SMILES: C1=C2C3C(C4C(C2=CC(=C1[N+](=O)[O-])S(=O)(=O)O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 67326-70-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H8Cl12O3S
MOLECULAR WEIGHT: 753.77672
SMILES: C1=CC2=C(C=C1S(=O)(=O)O)C3C(C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 21970-88-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H9Cl12N
MOLECULAR WEIGHT: 688.72816
SMILES: C1=CC2=C(C=C1N)C3C(C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 1064-20-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H6Cl12O4S
MOLECULAR WEIGHT: 779.77094
SMILES: C1=C2C(=CC3=C1C4C(C5C3C6(C(=C(C5(C6(Cl)Cl)Cl)Cl)Cl)Cl)C7(C(=C(C4(C7(Cl)Cl)Cl)Cl)Cl)Cl)S(=O)(=O)OC2=O
Structure:
CAS RN: 1755-58-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H8Cl12O5S
MOLECULAR WEIGHT: 797.78622
SMILES: C1=C(C(=CC2=C1C3C(C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl)S(=O)(=O)O)C(=O)O
Structure:
CAS RN: 67102-96-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H10Cl12O3S
MOLECULAR WEIGHT: 767.8033
SMILES: CC1=C(C=C2C3C(C4C(C2=C1)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl)S(=O)(=O)O
Structure:
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